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CORDIS - EU research results
CORDIS

Infrastructure for transnational access and discovery in structural biology

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

33 specialized access days to cryo-EM at CEITEC (opens in new window)
Protocols for joint NMR/cryo-EM structural refinement of membrane proteins and viral capsids (opens in new window)

Protocols for joint NMRcryoEM structural refinement of membrane proteins and viral capsids

910 hours to MX, BioSAXS, plate screens and in vivo crystallisation at SOLEIL (opens in new window)
9 fragment campaigns at HZB-MX (opens in new window)
130 days to solid-state NMR at BMRZ (opens in new window)

30 days to solid-state NMR at BMRZ

Instrument for automated measurement of ice thickness in cryo-EM (opens in new window)

Instrument for automated measurement of ice thickness in cryoEM EMBLHD

Characterization of RNA refolding by in-cell NMR (opens in new window)

Characterization of RNA refolding by incell NMR

Protocol isotope labelled photochemically locked RNAs in prokaryotes (opens in new window)
New statistical model implemented in PanDDA software (opens in new window)
856 hours to ALBA-CELLS (opens in new window)
130 days to solid-state NMR at CERM/CIRMMP (opens in new window)
203 days to solution NMR at UU (opens in new window)
40 days of high-resolution cryo-EM at CBI (opens in new window)
192 hours of SSX to the BioMAX at MAX IV (opens in new window)
86 days of cryo-EM at AU (opens in new window)
NMR for kinetics and thermodynamics of protein-ligand interaction (opens in new window)

NMR for kinetics and thermodynamics of proteinligand interaction

250 days to solution NMR at BMRZ (opens in new window)

350 days to solution NMR at BMRZ

Second report on training activities (opens in new window)
140 days for macromolecular interactions at NKI (opens in new window)
Approved schematic plan for iNEXT-Discovery ARIA (opens in new window)
Scripts for automatization of 3D fiducialisation in SRCLXM (opens in new window)
106 days of cryo-EM access at NeCEN (opens in new window)
Robust, automated sample evaluation workflow for X-ray crystallography (opens in new window)

Robust, automated sample evaluation workflow for X-ray crystallography (EMBL-HH)

Report on Thematic Calls (opens in new window)
12 cryo soft X-ray tomography experiments at DIAMOND (opens in new window)
Protocols for lamella production with cryo-FIB (opens in new window)

Protocols for lamella production with cryoFIB

Provide grid maps scored based on ice thickness to microscope (opens in new window)

Provide grid maps scored based on ice thickness to microscope EMBLHD

Workflow for real-time in-cell NMR measurements in the bioreactor (opens in new window)

Workflow for realtime incell NMR measurements in the bioreactor

Data exchange standards for dataset exchange and analysis (opens in new window)
First report on training activities (opens in new window)
Data collection protocols optimized for ligand detection (opens in new window)

Data collection protocols optimized for ligand detection (EMBL-GR)

152 days of access to the CryoCNB facility (opens in new window)
Dissemination plan (opens in new window)
208 days of supervised standard cryo-EM at EMBL-HD (opens in new window)
First report on outreach and dissemination (opens in new window)
Review of implementation quality and improved usage (opens in new window)
116 days of solution NMR at RALF-NMR, Grenoble (opens in new window)
Report on networking within the consortium and with (potential) users (opens in new window)
71 days of access to electron microscopy platform at ABSL (opens in new window)
Robust, automated sample evaluation workflow for single-particle cryo-EM (opens in new window)

Robust automated sample evaluation workflow for singleparticle cryoEM

Optimised NMR experiments for light-induced kinetics and transitions (opens in new window)

Optimised NMR experiments for lightinduced kinetics and transitions

Diffraction-based score as a function of each crystallization condition (opens in new window)

Diffraction-based score as a function of each crystallization condition (EMBL-HH)

In situ NMR laser illumination device combing at least 3 wavelengths (opens in new window)
NMR methods for site-specific measurement of dynamical parameters (opens in new window)

NMR methods for sitespecific measurement of dynamical parameters

Protocols for 3D fiducialisation for SRCLXM and SRCLEM (opens in new window)
Scripts for cryo-FIB automatization (opens in new window)

Scripts for cryoFIB automatization EMBLHD

Robust, automated implementation of sample evaluation workflow for cryo-ET (opens in new window)

Robust automated implementation of sample evaluation workflow for cryoET

Report on user experience about iNEXT-Discovery access protocols (opens in new window)
Report to Open Science journal on iNEXT-Discovery Covid-19 research projects (opens in new window)
List of ARIA captured data for proposal and user experience evaluation approved (opens in new window)
29 days of cryo-EM/tomography at CBI (opens in new window)
Web report of capabilities to conduct time-resolved NMR experiments (opens in new window)
113 days of sample preparation and characterization at EMBL-HH (opens in new window)
Second report on outreach and dissemination (opens in new window)
Report on outreach activities to attract industry users (opens in new window)

Report on outreach activities to attract industry users EMBLGR

88 days of solid-state NMR at RALF-NMR, Lyon (opens in new window)
Final report (opens in new window)
220 days to NMR at CEITEC (opens in new window)
Proof of concept for advance data analysis pipelines at EMBL-GR (opens in new window)
Protocol isotope labelled photochemically locked RNAs in eukaryotes (opens in new window)
Sustainability Working Group meeting report (opens in new window)
202 days to solid-state NMR at UU (min. 50 days DNP) (opens in new window)

202 days to solid-state NMR at UU (minimum of 50 days DNP)

Document on collaboration of iNEXT-Discovery and food community (opens in new window)
10 days to Online Crystallography at EMBL-GR (opens in new window)
1320 hours of MX/SAXS at EMBL-HH (opens in new window)
Analysis of binding location and affinity increase of ligated fragments (opens in new window)
126 days of access to cryo-EM at DIAMOND (opens in new window)
320 hours to the HZB-MX beamlines (opens in new window)
Second progress report (opens in new window)
Software framework for custom-built data analysis pipelines (opens in new window)

Software framework for custombuilt data analysis pipelines

Protocols to correlate cellular ssNMR with cryo-EM and microscopy readouts (opens in new window)

Protocols to correlate cellular ssNMR with cryoEM and microscopy readouts

72 days to fragment screening by MX at EMBL-GR (opens in new window)
12 fragment screening campaigns at DIAMOND (opens in new window)
Report on expanding interaction possibilities with industry (opens in new window)

Report on expanding interaction possibilities with industry (EMBL-GR)

262 days to solution NMR at CERM/CIRMMP (opens in new window)
Position paper on developments in time-resolved structural biology approaches (opens in new window)
60 days of correlative cryo-EM at EMBL-HD (opens in new window)
115 standard access days to cryo-EM at CEITEC (opens in new window)
Report on measures to compensate for the absence of hands-on on-site training (opens in new window)

Report on measures to compensate for the absence of handson onsite training M24 NKI

10 serial, 8 nanocrystallography, 10 long wavelength experiments at DIAMOND (opens in new window)
Processing of multiple facility data in common pipelines (opens in new window)
Sustainability plan (opens in new window)
ssNMR methods for kinetics of drug-receptor interaction in cell surfaces (opens in new window)

ssNMR methods for kinetics of drugreceptor interaction in cell surfaces

First progress report (opens in new window)
Investigation of RNA refolding from user application (opens in new window)
Tool for identification of follow-up compounds from fragment hits (opens in new window)

Tool for identification of followup compounds from fragment hits

77 days of optimization cryo-EM at CBI (opens in new window)
70 Mail-in bioSAXS experiments at DIAMOND (opens in new window)
6 days to ligand binding characterization at EMBL-GR (opens in new window)
Combining solution NMR and SAXS/SANS data for IDPs (opens in new window)

Combining solution NMR and SAXSSANS data for IDPs

Light-induced transition in a photo-switchable fluorescent protein (opens in new window)

Lightinduced transition in a photoswitchable fluorescent protein

440 hours of FragMAX at MAX IV (opens in new window)
Software tool for automated analysis of spectra (opens in new window)
Management Guidelines in place (opens in new window)
Pilot repository for fragment screening data (opens in new window)

Pilot repository for fragment screening data (EMBL-EBI)

Cryo-EM image-based quality scores by on-the-fly image processing (opens in new window)

CryoEM imagebased quality scores by onthefly image processing

Publications

Ligand-Based Competition Binding by Real-Time 19F NMR in Human Cells (opens in new window)

Author(s): Luchinat E, Barbieri L, Davis B, Brough PA, Pennestri M, Banci L.
Published in: Journal of Medicinal Chemistry, 2024, ISSN 1520-4804
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c01600

The CCP4 suite: integrative software for macromolecular crystallography (opens in new window)

Author(s): Agirre J, Atanasova M, Bagdonas H, Ballard CB, Baslé A, Beilsten-Edmands J, Borges RJ, Brown DG, Burgos-Mármol JJ, Berrisford JM, Bond PS, Caballero I, Catapano L, Chojnowski G, Cook AG, Cowtan KD, Croll TI, Debreczeni JÉ, Devenish NE, Dodson EJ, Drevon TR, Emsley P, Evans G, Evans PR, Fando M, Foadi J, Fuentes-Montero L, Garman EF, Gerstel M, Gildea RJ, Hatti K, Hekkelman ML, Heuser P, Hoh SW,
Published in: Acta Crystallogr D Struct Biol., 2023, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798323003595

Overarching control of autophagy and DNA damage response by CHD6 revealed by modeling a rare human pathology (opens in new window)

Author(s): Yulia Kargapolova, Rizwan Rehimi, Hülya Kayserili, Joanna Brühl, Konstantinos Sofiadis, Anne Zirkel, Spiros Palikyras, Athanasia Mizi, Yun Li, Gökhan Yigit, Alexander Hoischen, Stefan Frank, Nicole Russ, Jonathan Trautwein, Bregje van Bon, Christian Gilissen, Magdalena Laugsch, Eduardo Gade Gusmao, Natasa Josipovic, Janine Altmüller, Peter Nürnberg, Gernot Längst, Frank J. Kaiser, Erwan Watr
Published in: Nature Communications, Issue 12/1, 2021, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-021-23327-1

Studies on the Interaction between Model Proteins and Fluorinated Ionic Liquids (opens in new window)

Author(s): Alves MMS, Melo MN, Mertens HDT, Pereiro AB, Archer M
Published in: Pharmaceutics, 2023, ISSN 1999-4923
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/pharmaceutics15010157

Status and perspective of protein crystallography at the first multi-bend achromat based synchrotron MAX IV (opens in new window)

Author(s): Ana Gonzalez, Tobias Krojer, Jie Nan, Monika Bjelčić, Swati Aggarwal, Ishkan Gorgisyan, Mirko Milas, Mikel Eguiraun, Cecilia Casadei, Manoop Chenchiliyan, Andrius Jurgilaitis, David Kroon, Byungnam Ahn, John Carl Ekström, Oskar Aurelius, Dean Lang, Thomas Ursby, Marjolein M. G. M. Thunnissen
Published in: Journal of Synchrotron Radiation, Issue 32, 2025, ISSN 1600-5775
Publisher: Journal of Synchrotron Radiation
DOI: 10.1107/s1600577525002255

Modulation of Aβ42 Aggregation Kinetics and Pathway by Low‐Molecular‐Weight Inhibitors (opens in new window)

Author(s): Marie‐Theres Hutchison, Giovanni Bellomo, Alexey Cherepanov, Elke Stirnal, Boris Fürtig, Christian Richter, Verena Linhard, Elina Gurewitsch, Moreno Lelli, Nina Morgner, Thomas Schrader, Harald Schwalbe
Published in: ChemBioChem, Issue 24, 2023, ISSN 1439-4227
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cbic.202200760

Algorithmic robustness to preferred orientations in single particle analysis by CryoEM (opens in new window)

Author(s): C.O.S. Sorzano, D. Semchonok, S.-C. Lin, Y.-C. Lo, J.L. Vilas, A. Jiménez-Moreno, M. Gragera, S. Vacca, D. Maluenda, M. Martínez, E. Ramírez-Aportela, R. Melero, A. Cuervo, J.J. Conesa, P. Conesa, P. Losana, L. del Caño, J. Jiménez de la Morena, Y.C. Fonseca, R. Sánchez-García, D. Strelak, E. Fernández-Giménez, F. de Isidro, D. Herreros, P.L. Kastritis, R. Marabini, B.D. Bruce, J.M. Caraz
Published in: Journal of Structural Biology, Issue 213/1, 2021, Page(s) 107695, ISSN 1047-8477
Publisher: Academic Press
DOI: 10.1016/j.jsb.2020.107695

Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors (opens in new window)

Author(s): Osipov EM, Munawar AH, Beelen S, Fearon D, Douangamath A, Wild C, Weeks SD, Van Aerschot A, Von Delft F, Strelkov SV.
Published in: RSC Chemical Biology, 2022, ISSN 2633-0679
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2cb00052k

Site-Selective Functionalized PD-1 Mutant for a Modular Immunological Activity against Cancer Cells (opens in new window)

Author(s): Fallarini S, Cerofolini L, Salobehaj M, Rizzo D, Gheorghita GR, Licciardi G, Capialbi DE, Zullo V, Sodini A, Nativi C, Fragai M.
Published in: Biomacromolecules, 2023, ISSN 1526-4602
Publisher: American Chemical Society
DOI: 10.1021/acs.biomac.3c00893

Whole-proteome structures shed new light on posttranslational modifications (opens in new window)

Author(s): Robbie P. Joosten, Jon Agirre
Published in: PLoS Biol, 2022, ISSN 1545-7885
Publisher: Public Library of Science
DOI: 10.1371/journal.pbio.3001673

Amyloid-like DNA bridging: a new mode of DNA shaping (opens in new window)

Author(s): Frank Wien, Marcos Gragera, Tatsuhito Matsuo, Gautier Moroy, María Teresa Bueno-Carrasco, Rocío Arranz, Antoine Cossa, Anne Martel, Heloisa N Bordallo, Svemir Rudić, Marisela Velez, Johan R C van der Maarel, Judith Peters, Véronique Arluison
Published in: Nucleic Acids Research, Issue 53, 2025, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkaf169

UBAP2L ensures homeostasis of nuclear pore complexes at the intact nuclear envelope (opens in new window)

Author(s): Liao Y, Andronov L, Liu X, Lin J, Guerber L, Lu L, Agote-Arán A, Pangou E, Ran L, Kleiss C, Qu M, Schmucker S, Cirillo L, Zhang Z, Riveline D, Gotta M, Klaholz BP, Sumara I
Published in: Journal of Cell Biology, 2024, ISSN 1540-8140
Publisher: Rockefeller University Press
DOI: 10.1083/jcb.202310006

Monitoring Protein-Ligand Interactions in Human Cells by Real-Time Quantitative In-Cell NMR using a High Cell Density Bioreactor (opens in new window)

Author(s): Letizia Barbieri, Enrico Luchinat
Published in: Journal of Visualized Experiments, Issue 169, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62323

High-resolution structure of stem-loop 4 from the 5'-UTR of SARS-CoV-2 solved by solution state NMR (opens in new window)

Author(s): Vögele J, Hymon D, Martins J, Ferner J, Jonker HRA, Hargrove AE, Weigand JE, Wacker A, Schwalbe H, Wöhnert J, Duchardt-Ferner E.
Published in: Nucleic Acid Research, 2023, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkad762

ZART: A novel multiresolution reconstruction algorithm with motion-blur correction for single particle analysis (opens in new window)

Author(s): Herreros D, Kiska J, Ramirez E, Filipovic J, Carazo JM, Sorzano COS.
Published in: Journal of Molecular Biology, 2023, ISSN 0022-2836
Publisher: Academic Press
DOI: 10.1016/j.jmb.2023.168088

A bitopic agonist bound to the dopamine 3 receptor reveals a selectivity site (opens in new window)

Author(s): Sandra Arroyo-Urea, Antonina L. Nazarova, Ángela Carrión-Antolí, Alessandro Bonifazi, Francisco O. Battiti, Jordy Homing Lam, Amy Hauck Newman, Vsevolod Katritch, Javier García-Nafría
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-51993-4

Comprehensive Fragment Screening of the SARS-CoV-2 Proteome Explores Novel Chemical Space for Drug Development (opens in new window)

Author(s): Berg H, Wirtz Martin MA, Altincekic N, Alshamleh I, Kaur Bains J, Blechar J, Ceylan B, de Jesus V, Dhamotharan K, Fuks C, Gande SL, Hargittay B, Hohmann KF, Hutchinson MT, Korn SM, Krishnathas R, Kutz F, Linhard V, Matzel T, Meiser N, Niesteruk A, Pyper DJ, Schulte L, Trucks S, Azzaoui K, Blommers MJJ, Gadiya Y, Karki R, Zaliani A, Gribbon P, Almeida MDS, Anobom CD, Bula AL, Buetikofer M, Caruso
Published in: Angew Chem Int Ed Engl., 2022, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202205858

An integrative structural study of the human full-length RAD52 at 2.2 Å resolution (opens in new window)

Author(s): Beatrice Balboni, Roberto Marotta, Francesco Rinaldi, Giulia Milordini, Giulia Varignani, Stefania Girotto, Andrea Cavalli
Published in: Communications Biology, Issue 7, 2024, ISSN 2399-3642
Publisher: Nature Portfolio
DOI: 10.1038/s42003-024-06644-1

Structural conservation of antibiotic interaction with ribosomes (opens in new window)

Author(s): Paternoga H, Crowe-McAuliffe C, Bock LV, Koller TO, Morici M, Beckert B, Myasnikov AG, Grubmüller H, Nováček J, Wilson DN.
Published in: Nature Structural and Molecular Biology, 2023, ISSN 1545-9993
Publisher: Nature Publishing Group
DOI: 10.1038/s41594-023-01047-y

Protein delivery to living cells by thermal stimulation for biophysical investigation (opens in new window)

Author(s): Torricella F, Barbieri L, Bazzurro V, Diaspro A, Banci L.
Published in: Scientific Reports, Issue 20452322, 2022, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-022-21103-9

Phage T3 overcomes the BREX defense through SAM cleavage and inhibition of SAM synthesis by SAM lyase (opens in new window)

Author(s): Andriianov A, Trigüis S, Drobiazko A, Sierro N, Ivanov NV, Selmer M, Severinov K, Isaev A.
Published in: Cell Reports, 2023, ISSN 2211-1247
Publisher: Cell Press
DOI: 10.1016/j.celrep.2023.112972

Solution structure of the voltage-gated Tim23 channel in complex with a mitochondrial presequence peptide (opens in new window)

Author(s): Shu Zhou, Maosen Ruan, Yunyan Li, Jing Yang, Suwen Bai, Christian Richter, Harald Schwalbe, Can Xie, Bing Shen & Junfeng Wang
Published in: Cell Research, 2020, ISSN 1001-0602
Publisher: Kexue Chubaneshe/Science Press
DOI: 10.1038/s41422-020-00452-y

Characterization of a glycoside hydrolase endolysin from Acinetobacter baumannii phage AbTZA1 with high antibacterial potency and novel structural features (opens in new window)

Author(s): Premetis GE, Stathi A, Papageorgiou AC, Labrou NE.
Published in: FEBS Journal, 2022, ISSN 1742-464X
Publisher: Blackwell Publishing Inc.
DOI: 10.1111/febs.16686

On bias, variance, overfitting, gold standard and consensus in single-particle analysis by cryo-electron microscopy (opens in new window)

Author(s): Sorzano COS, Jiménez-Moreno A, Maluenda D, Martínez M, Ramírez-Aportela E, Krieger J, Melero R, Cuervo A, Conesa J, Filipovic J, Conesa P, Del Caño L, Fonseca YC, Jiménez-de la Morena J, Losana P, Sánchez-García R, Strelak D, Fernández-Giménez E, de Isidro-Gómez FP, Herreros D, Vilas JL, Marabini R, Carazo JM.
Published in: Acta Crystallogr D Struct Biol, 2022, ISSN 2059-7983
Publisher: John Wiley and Sons Inc.
DOI: 10.1107/s2059798322001978

New restraints and validation approaches for nucleic acid structures in PDB-REDO (opens in new window)

Author(s): Ida de Vries, Tim Kwakman, Xiang-Jun Lu, Maarten L. Hekkelman, Mandar Deshpande, Sameer Velankar, Anastassis Perrakis, Robbie P. Joosten
Published in: Acta Crystallographica Section D Structural Biology, Issue 77/9, 2021, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798321007610

Structural heterogeneity and dynamics in the apical stem loop of s2m from SARS-CoV-2 Delta by an integrative NMR spectroscopy and MD simulation approach (opens in new window)

Author(s): Maria A Wirtz Martin, Joseph A Makowski, Tobias Matzel, Adam H Kensinger, Alexander Herr, Christian Richter, Hendrik R A Jonker, Anna Wacker, Jeffrey D Evanseck, Harald Schwalbe
Published in: Nucleic Acids Research, Issue 53, 2025, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkaf552

Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop (opens in new window)

Author(s): Oxenfarth A, Kümmerer F, Bottaro S, Schnieders R, Pinter G, Jonker HRA, Fürtig B, Richter C, Blackledge M, Lindorff-Larsen K, Schwalbe H
Published in: Journal of the American Chemical Society, 2023, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.3c03578

Studies of proline conformational dynamics in IDPs by 13C-detected cross-correlated NMR relaxation (opens in new window)

Author(s): Marco Schiavina, Ruth Konrat, Irene Ceccolini, Borja Mateos, Robert Konrat, Isabella C. Felli, Roberta Pierattelli
Published in: Journal of Magnetic Resonance, Issue 354, 2023, Page(s) 107539, ISSN 1090-7807
Publisher: Academic Press
DOI: 10.1016/j.jmr.2023.107539

A Sample Preparation Pipeline for Microcrystals at the VMXm Beamline (opens in new window)

Author(s): Adam D. Crawshaw, Emma V. Beale, Anna J. Warren, Andrew Stallwood, Graham Duller, Jose Trincao, Gwyndaf Evans
Published in: Journal of Visualized Experiments, Issue 172, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62306

The Intriguing mitoNEET: Functional and Spectroscopic Properties of a Unique [2Fe-2S] Cluster Coordination Geometry (opens in new window)

Author(s): Camponeschi F, Piccioli M, Banci L.
Published in: Molecules, 2022, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27238218

A morpheein equilibrium regulates catalysis in phosphoserine phosphatase SerB2 from Mycobacterium tuberculosis (opens in new window)

Author(s): Pierson E, De Pol F, Fillet M, Wouters J.
Published in: Commun Biol., 2023, ISSN 2399-3642
Publisher: Springer Nature
DOI: 10.1038/s42003-023-05402-z

Subcellular targets and recognition mechanism of Ralstonia solanacearum effector RipE1 (opens in new window)

Author(s): Tsakiri D, Kotsaridis K, Michalopoulou VA, Zhang N, Marinos S, Kountourakis N, Kokkinidis M, Martin GB, Sarris PF.
Published in: ISCIENCE, 2025, ISSN 2589-0042
Publisher: Cell Press Elsevier Inc.
DOI: 10.1016/j.isci.2025.112307

Determinants of receptor tyrosine phosphatase homophilic adhesion: structural comparison of PTPRK and PTPRM extracellular domains (opens in new window)

Author(s): Hay IM, Shamin M, Caroe ER, Mohammed ASA, Svergun DI, Jeffries CM, Graham SC, Sharpe HJ, Deane JE.
Published in: Journal of Biological Chemistry, 2022, ISSN 0021-9258
Publisher: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102750

Toward protein NMR at physiological concentrations by hyperpolarized water — Finding and mapping uncharted conformational spaces (opens in new window)

Author(s): Epasto LM, Che K, Kozak F, Selimovic A, Kadeřávek P, Kurzbach D.
Published in: Science Advances, 2022, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.abq5179

Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial β-oxidation trifunctional enzymes (opens in new window)

Author(s): Sah-Teli SK, Pinkas M, Hynönen MJ, Butcher SJ, Wierenga RK, Novacek J, Venkatesan R.
Published in: Structure, 2023, ISSN 0969-2126
Publisher: Cell Press
DOI: 10.1016/j.str.2023.04.011

Fixed Target Serial Data Collection at Diamond Light Source (opens in new window)

Author(s): Sam Horrell, Danny Axford, Nicholas E. Devenish, Ali Ebrahim, Michael A. Hough, Darren A. Sherrell, Selina L. S. Storm, Ivo Tews, Jonathan A. R. Worrall, Robin L. Owen
Published in: Journal of Visualized Experiments, Issue 168, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62200

Identification of potential aggregation hotspots on Aβ42 fibrils blocked by the anti-amyloid chaperone-like BRICHOS domain (opens in new window)

Author(s): Kumar R, Le Marchand T, Adam L, Bobrovs R, Chen G, Fridmanis J, Kronqvist N, Biverstål H, Jaudzems K, Johansson J, Pintacuda G, Abelein A.
Published in: Nature Communications, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-45192-4

Structural plasticity of NFU1 upon interaction with binding partners: insights into the mitochondrial [4Fe-4S] cluster pathway (opens in new window)

Author(s): Da Vela S, Saudino G, Lucarelli F, Banci L, Svergun DI, Ciofi-Baffoni S.
Published in: J Mol Biol, 2023, ISSN 0022-2836
Publisher: Academic Press
DOI: 10.1016/j.jmb.2023.168154

Evaluation of the Higher Order Structure of Biotherapeutics Embedded in Hydrogels for Bioprinting and Drug Release (opens in new window)

Author(s): Domenico Rizzo, Linda Cerofolini, Anna Pérez-Ràfols, Stefano Giuntini, Fabio Baroni, Enrico Ravera, Claudio Luchinat, Marco Fragai
Published in: Analytical Chemistry, 2021, ISSN 0003-2700
Publisher: American Chemical Society
DOI: 10.1021/acs.analchem.1c01850

Chaperoning of the histone octamer by the acidic domain of DNA repair factor APLF (opens in new window)

Author(s): Corbeski I, Guo X, Eckhardt BV, Fasci D, Wiegant W, Graewert MA, Vreeken K, Wienk H, Svergun DI, Heck AJR, van Attikum H, Boelens R, Sixma TK, Mattiroli F, van Ingen H
Published in: Science Advances, 2022, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.abo0517

High-Resolution Studies of Proteins in Natural Membranes by Solid-State NMR (opens in new window)

Author(s): David Beriashvili, Raymond D. Schellevis, Federico Napoli, Markus Weingarth, Marc Baldus
Published in: Journal of Visualized Experiments, Issue 169, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62197

Experiences From Developing Software for Large X-Ray Crystallography-Driven Protein-Ligand Studies. (opens in new window)

Author(s): Pearce NM, Skyner R, Krojer T.
Published in: Front. Mol. Biosci., Issue Section Structural BIology, 2022, ISSN 2296-889X
Publisher: Lausanne
DOI: 10.3389/fmolb.2022.861491

CryoEM structure and small-angle X-ray scattering analyses of porcine retinol-binding protein 3 (opens in new window)

Author(s): Vineeta Kaushik, Luca Gessa, Nelam Kumar, Matyáš Pinkas, Mariusz Czarnocki-Cieciura, Krzysztof Palczewski, Jiří Nováček, Humberto Fernandes
Published in: Open Biology, Issue 15, 2025, ISSN 2046-2441
Publisher: Royal Society Publishing
DOI: 10.1098/rsob.240180

In-cell NMR: Why and how? (opens in new window)

Author(s): Theillet FX, Luchinat E.
Published in: Progress in Nuclear Magnetic Resonance Spectroscopy, 2022, ISSN 0079-6565
Publisher: Elsevier BV
DOI: 10.1016/j.pnmrs.2022.04.002

1H, 13C, and 15N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein) (opens in new window)

Author(s): Ying Wang, John Kirkpatrick, Susanne zur Lage, Sophie M. Korn, Konstantin Neißner, Harald Schwalbe, Andreas Schlundt, Teresa Carlomagno
Published in: Biomolecular NMR Assignments, 2021, ISSN 1874-2718
Publisher: Springer Verlag
DOI: 10.1007/s12104-021-10019-6

Intrinsically disordered plant protein PARCL co-localizes with RNA in phase-separated condensates whose formation can be regulated by mutating the PLD (opens in new window)

Author(s): Ostendorp A, Ostendorp S, Zhou Y, Chaudron Z, Wolffram L, Rombi K, von Pein L, Falke S, Jeffries CM, Svergun DI, Betzel C, Morris RJ, Kragler F, Kehr J
Published in: Journal of Biological Chemistry, Issue 00219258, 2022, ISSN 0021-9258
Publisher: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102631

Dissociation of β2m from MHC class I triggers formation of noncovalent transient heavy chain dimers (opens in new window)

Author(s): Cindy Dirscherl, Sara Löchte, Zeynep Hein, Janine-Denise Kopicki, Antonia Regina Harders, Noemi Linden, Andreas Karner, Johannes Preiner, Julian Weghuber, Maria Garcia-Alai, Charlotte Uetrecht, Martin Zacharias, Jacob Piehler, Peter Lanzerstorfer, Sebastian Springer
Published in: Journal of Cell Science, Issue 135, 2023, ISSN 0021-9533
Publisher: The Company of Biologists Ltd.
DOI: 10.1242/jcs.259498

Targeting the Main Protease (Mpro, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies (opens in new window)

Author(s): Altincekic N, Jores N, Löhr F, Richter C, Ehrhardt C, Blommers MJJ, Berg H, Öztürk S, Gande SL, Linhard V, Orts J, Abi Saad MJ, Bütikofer M, Kaderli J, Karlsson BG, Brath U, Hedenström M, Gröbner G, Sauer UH, Perrakis A, Langer J, Banci L, Cantini F, Fragai M, Grifagni D, Barthel T, Wollenhaupt J, Weiss MS, Robertson A, Bax A, Sreeramulu S, Schwalbe H.
Published in: ACS Chemical Biology, 2024, ISSN 1554-8929
Publisher: American Chemical Society
DOI: 10.1021/acschembio.3c00720

Binding adaptation of GS-441524 diversifies macro domains and downregulate SARS-CoV-2 de-MARylation capacity (opens in new window)

Author(s): A.C. Tsika, A. Gallo, N.K. Fourkiotis, A.I. Argyriou, S. Sreeramulu, F. Löhr, V.V. Rogov, C. Richter, V. Linhard, S.L. Gande, N. Altincekic, R. Krishnathas, I. Elamri, H. Schwalbe, J. Wollenhaupt, M.S. Weiss, G.A. Spyroulias
Published in: Journal of Molecular Biology, 2022, ISSN 0022-2836
Publisher: Academic Press
DOI: 10.1016/j.jmb.2022.167720

Progression of herpesvirus infection remodels mitochondrial organization and metabolism (opens in new window)

Author(s): Leclerc S, Gupta A, Ruokolainen V, Chen JH, Kunnas K, Ekman AA, Niskanen H, Belevich I, Vihinen H, Turkki P, Perez-Berna AJ, Kapishnikov S, Mäntylä E, Harkiolaki M, Dufour E, Hytönen V, Pereiro E, McEnroe T, Fahy K, Kaikkonen MU, Jokitalo E, Larabell CA, Weinhardt V, Mattola S, Aho V, Vihinen-Ranta M
Published in: PLoS Pathog, 2024, ISSN 1553-7374
Publisher: Public Library of Science
DOI: 10.1371/journal.ppat.1011829

Phase distortion-free paramagnetic NMR spectra (opens in new window)

Author(s): Enrico Ravera
Published in: Journal of Magnetic Resonance Open, Issue 8-9, 2021, Page(s) 100022, ISSN 2666-4410
Publisher: Elsevier Inc
DOI: 10.1016/j.jmro.2021.100022

Disentangling Chromophore States in a Reversibly Switchable Green Fluorescent Protein: Mechanistic Insights from NMR Spectroscopy (opens in new window)

Author(s): Nina Eleni Christou, Karine Giandoreggio-Barranco, Isabel Ayala, Oleksandr Glushonkov, Virgile Adam, Dominique Bourgeois, Bernhard Brutscher
Published in: Journal of the American Chemical Society, Issue 143/19, 2021, Page(s) 7521-7530, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.1c02442

Molecular Basis of Multiple Mitochondrial Dysfunctions Syndrome 2 Caused by CYS59TYR BOLA3 Mutation (opens in new window)

Author(s): Giovanni Saudino, Dafne Suraci, Veronica Nasta, Simone Ciofi-Baffoni, Lucia Banci
Published in: International Journal of Molecular Sciences, Issue 22/9, 2021, Page(s) 4848, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22094848

The folding landscapes of human telomeric RNA and DNA Gquadruplexesare markedly different (opens in new window)

Author(s): Diana Müller, Irene Bessi, Christian Richter, and Harald Schwalbe
Published in: Angewandte Chemie (International Edition), 2021, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202100280

Cost-Effective Protein Production in CHO Cells Following Polyethylenimine-Mediated Gene Delivery Showcased by the Production and Crystallization of Antibody Fabs (opens in new window)

Author(s): Meskova K, Martonova K, Hrasnova P, Sinska K, Skrabanova M, Fialova L, Njemoga S, Cehlar O, Parmar O, Kolenko P, Pevala V, Skrabana R.
Published in: Antibodies, 2023, ISSN 2073-4468
Publisher: MDPI
DOI: 10.3390/antib12030051

OUP accepted manuscript (opens in new window)

Author(s): Tamas Lazar, Elizabeth Martínez-Pérez, Federica Quaglia, András Hatos, Lucía B Chemes, Javier A Iserte, Nicolás A Méndez, Nicolás A Garrone, Tadeo E Saldaño, Julia Marchetti, Ana Julia Velez Rueda, Pau Bernadó, Martin Blackledge, Tiago N Cordeiro, Eric Fagerberg, Julie D Forman-Kay, Maria S Fornasari, Toby J Gibson, Gregory-Neal W Gomes, Claudiu C Gradinaru, Teresa Head-Gordon, Malene Rin
Published in: Nucleic Acids Research, 2020, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkaa1021

pH variations enable guanine crystal formation within iridosomes (opens in new window)

Author(s): Zohar Eyal, Rachael Deis, Anna Gorelick-Ashkenazi, Yuval Barzilay, Yonatan Broder, Asher Perry Kellum, Neta Varsano, Michal Hartstein, Andrea Sorrentino, Ron Rotkopf, Ifat Kaplan-Ashiri, Katya Rechav, Rebecca Metzler, Lothar Houben, Leeor Kronik, Peter Rez, Dvir Gur
Published in: Nature Chemical Biology, 2025, ISSN 1552-4450
Publisher: Nature Publishing Group
DOI: 10.1038/s41589-025-02020-0

Intracellular Binding/Unbinding Kinetics of Approved Drugs toCarbonic Anhydrase II Observed by in-Cell NMR (opens in new window)

Author(s): Enrico Luchinat, Letizia Barbieri, Matteo Cremonini, Alessio Nocentini, Claudiu T. Supuran, and Lucia Banci
Published in: ACS Chemical Biology, 2020, ISSN 1554-8929
Publisher: American Chemical Society
DOI: 10.1021/acschembio.0c00590

Structural studies of β-glucosidase from the thermophilic bacterium <i>Caldicellulosiruptor saccharolyticus</i> (opens in new window)

Author(s): Anastasia I. Sotiropoulou, Dimitris G. Hatzinikolaou, Evangelia D. Chrysina
Published in: Acta Crystallographica Section D Structural Biology, Issue 80, 2024, Page(s) 733-743, ISSN 2059-7983
Publisher: IUCr Journals
DOI: 10.1107/s2059798324009252

Controlling the incorporation of fluorinated amino acids in human cells and its structural impact (opens in new window)

Author(s): Azzurra Costantino, Lan B. T. Pham, Letizia Barbieri, Vito Calderone, Gili Ben‐Nissan, Michal Sharon, Lucia Banci, Enrico Luchinat
Published in: Protein Science, Issue 33, 2024, ISSN 0961-8368
Publisher: Cold Spring Harbor Laboratory Press
DOI: 10.1002/pro.4910

Exploring the druggability of conserved RNA regulatory elements in the SARS‐CoV‐2 genome (opens in new window)

Author(s): Sridhar Sreeramulu, Christian Richter, Hannes Berg, Maria A Wirtz Martin, Betül Ceylan, Tobias Matzel, Jennifer Adam, Nadide Altincekic, Kamal Azzaoui, Jasleen Kaur Bains, Marcel J.J. Blommers, Jan Ferner, Boris Fürtig, M. Göbel, J Tassilo Grün, Martin Hengesbach, Katharina F. Hohmann, Daniel Hymon, Bozana Knezic, Jason Martins, Klara R Mertinkus, Anna Niesteruk, Stephen A Peter, Dennis J Pype
Published in: Angewandte Chemie International Edition, 2021, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202103693

Structure of the drug target ClpC1 unfoldase in action provides insights on antibiotic mechanism of action (opens in new window)

Author(s): Weinhäupl K, Gragera M, Bueno-Carrasco MT, Arranz R, Krandor O, Akopian T, Soares R, Rubin E, Felix J, Fraga H
Published in: Journal of Biological Chemistry, Issue 00219258, 2022, ISSN 0021-9258
Publisher: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102553

Cryo-EM density maps adjustment for subtraction, consensus and sharpening (opens in new window)

Author(s): E. Fernández-Giménez, M. Martínez, R. Sánchez-García, R. Marabini, E. Ramírez-Aportela, P. Conesa, J.M. Carazo, C.O.S. Sorzano
Published in: Journal of Structural Biology, Issue 213/4, 2021, Page(s) 107780, ISSN 1047-8477
Publisher: Academic Press
DOI: 10.1016/j.jsb.2021.107780

Real-Time Quantitative In-Cell NMR: Ligand Binding and Protein Oxidation Monitored in Human Cells Using Multivariate Curve Resolution (opens in new window)

Author(s): Enrico Luchinat, Letizia Barbieri, Timothy F. Campbell, Lucia Banci
Published in: Analytical Chemistry, Issue 92/14, 2020, Page(s) 9997-10006, ISSN 0003-2700
Publisher: American Chemical Society
DOI: 10.1021/acs.analchem.0c01677

The Extended Hadamard Transform: Sensitivity-Enhanced NMR Experiments Among Labile and Non-Labile 1Hs of SARS-CoV-2-derived RNAs (opens in new window)

Author(s): Kim J, Novakovic M, Jayanthi S, Lupulescu A, Kupče Ē, Grün JT, Mertinkus K, Oxenfarth A, Schwalbe H, Frydman L.
Published in: ChemPhysChem, 2022, ISSN 1439-4235
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cphc.202100704

Molecular determinants for recognition of serotonylated chromatin (opens in new window)

Author(s): Laura Pulido-Cortés, Hajo Gielingh, Vito Thijssen, Minglong Liu, Ryoji Yoshisada, Leonardo Romão Soares, Sheikh Nizamuddin, Florian Friedrich, Holger Greschik, Ling Peng, Rodrigo Vargas Honorato, Manfred Jung, Alexandre M J J Bonvin, Martin L Biniossek, Roland Schüle, Seino Jongkees, Hugo van Ingen, H Th Marc Timmers
Published in: Nucleic Acids Research, Issue 53, 2025, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkaf612

Molecular mechanisms and evolutionary robustness of a color switch in proteorhodopsins (opens in new window)

Author(s): Mao J, Jin X, Shi M, Heidenreich D, Brown LJ, Brown RCD, Lelli M, He X, Glaubitz C.
Published in: Science Advances, 2024, ISSN 2375-2548
Publisher: AAAS
DOI: 10.1126/sciadv.adj0384

A thermosensitive gel matrix for bioreactor-assisted in-cell NMR of nucleic acids and proteins (opens in new window)

Author(s): Dzurov M, Pospíšilová Š, Krafčíková M, Trantírek L, Vojtová L, Ryneš J
Published in: J Biomol NMR, 2023, ISSN 0925-2738
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s10858-023-00422-7

Rapid protein delivery to living cells for biomolecular investigation (opens in new window)

Author(s): Francesco Torricella, Alessio Bonucci, Panagis Polykretis, Francesca Cencetti, Lucia Banci
Published in: Biochemical and Biophysical Research Communications, Issue 570, 2021, Page(s) 82-88, ISSN 0006-291X
Publisher: Academic Press
DOI: 10.1016/j.bbrc.2021.07.006

Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC β-Lactamases (opens in new window)

Author(s): Brunetti F, Ghiglione B, Gudeta DD, Gutkind G, Guardabassi L, Klinke S, Power P.
Published in: Antimicrobial Agents and Chemotherapy, 2024, ISSN 1098-6596
Publisher: ASM Journals
DOI: 10.1128/aac.00061-23

Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein (opens in new window)

Author(s): Sacerdoti M, Gross LZF, Riley AM, Zehnder K, Ghode A, Klinke S, Anand GS, Paris K, Winkel A, Herbrand AK, Godage HY, Cozier GE, Süß E, Schulze JO, Pastor-Flores D, Bollini M, Cappellari MV, Svergun D, Gräwert MA, Aramendia PF, Leroux AE, Potter BVL, Camacho CJ, Biondi RM.
Published in: Science Signaling, 2023, ISSN 1937-9145
Publisher: American Association for the Advancement of Science
DOI: 10.1126/scisignal.add3184

Cyanobacterial Argonautes and Cas4 family nucleases cooperate to interfere with invading DNA (opens in new window)

Author(s): Pilar Bobadilla Ugarte, Stefanie Halter, Sumanth K. Mutte, Clint Heijstek, Theophile Niault, Ilya Terenin, Patrick Barendse, Balwina Koopal, Mark Roosjen, Sjef Boeren, Vasili Hauryliuk, Martin Jinek, Adrie H. Westphal, Daan C. Swarts
Published in: Molecular Cell, 2025, ISSN 1097-2765
Publisher: Cell Press
DOI: 10.1016/j.molcel.2025.03.025

Ultrastructure of macromolecular assemblies contributing to bacterial spore resistance revealed by in situ cryo-electron tomography (opens in new window)

Author(s): Bauda E, Gallet B, Moravcova J, Effantin G, Chan H, Novacek J, Jouneau PH, Rodrigues CDA, Schoehn G, Moriscot C, Morlot C
Published in: Nature Communications, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-45770-6

Crystal structure of the Phospholipase A and acyltransferase 4 (PLAAT4) catalytic domain (opens in new window)

Author(s): Wehlin A, Cornaciu I, Marquez JM, Perrakis A, von Castelmur E.
Published in: Journal of Structural Biology, Issue 10478477, 2022, ISSN 1047-8477
Publisher: Academic Press
DOI: 10.1016/j.jsb.2022.107903

Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking (opens in new window)

Author(s): A. Metz, J. Wollenhaupt, S. Glöckner, N. Messini, S. Huber, T. Barthel, A. Mehrabed, H.-D. Gerber, A. Heine, G. Klebe and M. S. Weiss
Published in: Acta Crystallographica Section D Structural Biology, Issue 77/8, 2021, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798321008196

Blood pH Analysis in Combination with Molecular Medical Tools in Relation to COVID-19 Symptoms (opens in new window)

Author(s): Siebert H-C, Eckert T, Bhunia A, Klatte N, Mohri M, Siebert S, Kozarova A, Hudson JW, Zhang R, Zhang N, Li L, Gousias K, Kanakis D, Yan M, Jiménez-Barbero J, Kožár T, Nifantiev NE, Vollmer C, Brandenburger T, Kindgen-Milles D, Haak T, Petridis AK.
Published in: Biomedicines, 2023, ISSN 2227-9059
Publisher: MDPI
DOI: 10.3390/biomedicines11051421

Structure-function studies of a novel laccase-like multicopper oxidase from Thermothelomyces thermophila provide insights into its biological role (opens in new window)

Author(s): Kosinas C, Zerva A, Topakas E, Dimarogona M.
Published in: Acta Crystallogr D Struct Biol, 2023, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798323004175

A modular platform for automated cryo-FIB workflows (opens in new window)

Author(s): Klumpe S, Fung HKH, Goetz SK, Zagoriy I, Hampoelz B, Zhang X, Erdmann PS, Baumbach J, Müller CW, Beck M, Plitzko JM, Mahamid J
Published in: Elife, 2021, ISSN 2050-084X
Publisher: eLife Sciences Publications
DOI: 10.7554/elife.70506

Single Particle Cryo-Electron Microscopy: From Sample to Structure (opens in new window)

Author(s): Joshua B.R. White, Daniel P. Maskell, Andrew Howe, Martin Harrow, Daniel K. Clare, C. Alistair Siebert, Emma L. Hesketh, Rebecca F. Thompson
Published in: Journal of Visualized Experiments, Issue 171, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62415

Determination of intracellular protein–ligand binding affinity by competition binding in-cell NMR (opens in new window)

Author(s): Enrico Luchinat, Letizia Barbieri, Matteo Cremonini, Matteo Pennestri, Alessio Nocentini, Claudiu T. Supuran, Lucia Banci
Published in: Acta Crystallographica Section D Structural Biology, Issue 77/10, 2021, Page(s) 1270-1281, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798321009037

Updated restraint dictionaries for carbohydrates in the pyranose form (opens in new window)

Author(s): Atanasova M, Nicholls RA, Joosten RP, Agirre J.
Published in: Acta Crystallogr D Struct Biol, 2022, ISSN 2059-7983
Publisher: IUCr/Wiley
DOI: 10.1107/s2059798322001103

Structural and functional features of a broad-spectrum prophage-encoded enzybiotic from Enterococcus faecium (opens in new window)

Author(s): Premetis GE, Stathi A, Papageorgiou AC, Labrou NE.
Published in: Scientific Reports, 2023, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-023-34309-2

Bio-SAXS of single-stranded DNA-binding proteins: radiation protection by the compatible solute ectoine (opens in new window)

Author(s): Hallier DC, Smales GJ, Seitz H, Hahn MB.
Published in: Phys Chem Chem Phys, 2023, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2cp05053f

Image processing tools for the validation of CryoEM maps (opens in new window)

Author(s): C.O.S. Sorzano, J.L. Vilas, E. Ramírez-Aportela, J. Krieger, D. del Hoyo, D. Herreros, E. Fernandez-Giménez, D. Marchán, J.R. Macías, I. Sánchez, L. del Caño, Y. Fonseca- Reyna, P. Conesa, A. García-Mena, J. Burguet, J. García Condado, J. Méndez García, M. Martínez, A. Muñoz-Barrutia, R. Marabini, J. Vargas, J.M. Carazo
Published in: Faraday Discussions, 2022, ISSN 1364-5498
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2fd00059h

The Coming of Age of In-Cell Solution NMR (opens in new window)

Author(s): Luchinat E, Cremonini M, Banci L
Published in: Chemical Reviews, 2022, ISSN 0009-2665
Publisher: American Chemical Society
DOI: 10.1021/acs.chemrev.1c00790

Staphylococcus aureus sacculus mediates activities of M23 hydrolases (opens in new window)

Author(s): Razew A, Laguri C, Vallet A, Bougault C, Kaus-Drobek M, Sabala I, Simorre JP.
Published in: Nature Communications, 2023, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-023-42506-w

Common transthyretin-derived amyloid fibril structures in patients with hereditary ATTR amyloidosis (opens in new window)

Author(s): Steinebrei M, Baur J, Pradhan A, Kupfer N, Wiese S, Hegenbart U, Schönland SO, Schmidt M, Fändrich M.
Published in: Nature Communications, 2023, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-023-43301-3

Facilitated crystal handling using a simple device for evaporation reduction in microtiter plates (opens in new window)

Author(s): Tatjana Barthel, Franziska U. Huschmann, Dirk Wallacher, Christian G. Feiler, Gerhard Klebe, Manfred S. Weiss, Jan Wollenhaupt
Published in: Journal of Applied Crystallography, Issue 54/1, 2021, Page(s) 376-382, ISSN 1600-5767
Publisher: IUCr
DOI: 10.1107/s1600576720016477

FragMAX Facility for Crystallographic Fragment and Ligand Screening at MAX IV (opens in new window)

Author(s): Sandesh Kanchugal P., Elmir Jagudin, Gustavo M. A. Lima, Vladimir O. Talibov, Afshan Begum, Jie Nan, Mikel Eguiraun, Ana Gonzalez, Céleste Sele, Maria Nyblom, Wolfgang Knecht, Derek T. Logan, Tove Sjögren, Marjolein Thunnissen, Thomas Ursby, Marc Obiols‐Rabasa, Magnus Larsson, Uwe Mueller, Tobias Krojer
Published in: Applied Research, Issue 4, 2025, ISSN 2702-4288
Publisher: Wiley
DOI: 10.1002/appl.202400263

Protocol for image registration of correlative soft X-ray tomography and super-resolution structured illumination microscopy images (opens in new window)

Author(s): Nina Vyas, Stephan Kunne, Thomas M. Fish, Ian M. Dobbie, Maria Harkiolaki, Perrine Paul-Gilloteaux
Published in: STAR Protocols, Issue 2/2, 2021, Page(s) 100529, ISSN 2666-1667
Publisher: Cell Press
DOI: 10.1016/j.xpro.2021.100529

Cryo-EM and Single-Particle Analysis with Scipion (opens in new window)

Author(s): A. Jiménez-Moreno, L. del Caño, M. Martínez, E. Ramírez-Aportela, A. Cuervo, R. Melero, R. Sánchez-García, D. Strelak, E. Fernández-Giménez, F.P. de Isidro-Gómez, D. Herreros, P. Conesa, Y. Fonseca, D. Maluenda, J. Jiménez de la Morena, J.R. Macías, P. Losana, R. Marabini, J.M. Carazo, C.O.S. Sorzano
Published in: Journal of Visualized Experiments, Issue 171, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62261

Advances in Xmipp for Cryo–Electron Microscopy: From Xmipp to Scipion (opens in new window)

Author(s): Strelak D, Jiménez-Moreno A, Vilas JL, Ramírez-Aportela E, Sánchez-García R, Maluenda D, Vargas J, Herreros D, Fernández-Giménez E, de Isidro-Gómez FP, Horacek J, Myska D, Horacek M, Conesa P, Fonseca-Reyna YC, Jiménez J, Martínez M, Harastani M, Jonić S, Filipovic J, Marabini R, Carazo JM, Sorzano COS
Published in: Molecules, 2021, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26206224

Guanine crystal formation by the unicellular organism Phacotus lenticularis is part of a cellular stress response (opens in new window)

Author(s): Noy Shaked, Andrea Sorrentino, Neta Varsano, Sefi Addadi, Ziv Porat, Iddo Pinkas, Steve Weiner, Lia Addadi
Published in: PLOS ONE, Issue 20, 2025, Page(s) e0316193, ISSN 1932-6203
Publisher: Public Library of Science
DOI: 10.1371/journal.pone.0316193

Structural basis of poxvirus fusion regulation and anti-A16/G9 antibody-mediated neutralization and protection (opens in new window)

Author(s): Annalisa Meola, Riccardo Vernuccio, Leandro Battini, Guillermo Albericio, Pilar Delgado, Rebecca Bamford, Laura Pokorny, Manon Broutin, Alejandro Martínez León, Sébastien Gallien, María Gil, María A. Noriega, Florence Guivel-Benhassine, Françoise Porrot, Jeanne Postal, Julian Buchrieser, Mathieu Hubert, Ahmed Haouz, Pierre Lafaye, Mariano Esteban, Jochen S. Hub, Matthieu Mahévas, Pascal Cha
Published in: Cell, 2025, ISSN 0092-8674
Publisher: Cell Press
DOI: 10.1016/j.cell.2025.07.040

Oxidation of the Mycobacterium tuberculosis key virulence factor Protein Tyrosine Phosphatase A (MptpA) reduces its phosphatase activity (opens in new window)

Author(s): Niesteruk A,Sreeramulu S, Jonker HRA, Richter C, Schwalbe H.
Published in: FEBS letters, 2022, ISSN 1873-3468
Publisher: Wiley
DOI: 10.1002/1873-3468.14348

Protein structure and interactions elucidated with in-cell NMR for different cell cycle phases and in 3D human tissue models (opens in new window)

Author(s): Jan Rynes, Eva Istvankova, Michaela Dzurov Krafcikova, Enrico Luchinat, Letizia Barbieri, Lucia Banci, Kristyna Kamarytova, Tomas Loja, Bohumil Fafilek, Gustavo Rico-Llanos, Pavel Krejci, Libor Macurek, Silvie Foldynova-Trantirkova, Lukas Trantirek
Published in: Communications Biology, Issue 8, 2025, ISSN 2399-3642
Publisher: Springer Nature
DOI: 10.1038/s42003-025-07607-w

Real-time NMR spectroscopy in the study of biomolecular kineticsand dynamics (opens in new window)

Author(s): György Pintér, Katharina F. Hohmann, J. Tassilo Grün, Julia Wirmer-Bartoschek, Clemens Glaubitz, Boris Fürtig, Harald Schwalbe
Published in: Magnetic Resonance Discussions, 2021, ISSN 2699-0059
Publisher: Copernicus Publications
DOI: 10.5194/mr-2021-16

Identification and Characterization of an RRM‐Containing, RNA Binding Protein in Acinetobacter baumannii (opens in new window)

Author(s): Ciani C, Pérez‐Ràfols A, Bonomo I, Micaelli M, Esposito A, Zucal C, Belli R, D’Agostino VG, Bianconi I, Calderone V, Cerofolini L, Massidda O, Whalen MB, Fragai M, Provenzani A.
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Towards Consistency in Geometry Restraints for Carbohydrates in the Pyranose form: Modern Dictionary Generators Reviewed (opens in new window)

Author(s): Joosten RP, Nicholls RA, Agirre J.
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Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases (opens in new window)

Author(s): Balandis B, Šimkūnas T, Paketurytė-Latvė V, Michailovienė V, Mickevičiūtė A, Manakova E, Gražuli S, Belyakov S, Kairys V, Mickevičius V, Zubrienė A, Matulis D.
Published in: Pharmaceuticals, 2022, ISSN 1424-8247
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
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FragMAXapp : crystallographic fragment-screening data-analysis and project-management system (opens in new window)

Author(s): Gustavo M. A. Lima, Elmir Jagudin, Vladimir O. Talibov, Laila S. Benz, Costantino Marullo, Tatjana Barthel, Jan Wollenhaupt, Manfred S. Weiss, Uwe Mueller
Published in: Acta Crystallographica Section D Structural Biology, Issue 77/6, 2021, ISSN 2059-7983
Publisher: IUCr
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Optimization of the Lead Compound NVP-BHG712 as Colorectal Cancer Inhibitor (opens in new window)

Author(s): Tröster A, DiPrima M, Jores N, Kudlinzki D, Sreeramulu S, Gande SL, Linhard V, Ludig D, Schug A, Saxena K, Reinecke M, Heinzlmeir S, Leisegang MS, Wollenhaupt J, Lennartz F, Weiss MS, Kuster B, Tosato G, Schwalbe H.
Published in: Chemistry, 2023, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
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Integrated NMR and MD structure and dynamics of the stem loop II motif (s2m) from the Omicron variant of SARS-CoV-2 (opens in new window)

Author(s): Tobias Matzel, Joseph Makowski, Adam H. Kensinger, Andreas Oxenfarth, Maria A. Wirtz Martin, Jeffrey Evanseck, Harald Schwalbe
Published in: RNA, 2025, Page(s) rna.080576.125, ISSN 1355-8382
Publisher: Cold Spring Harbor Laboratory Press
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The missing link: covalent linkages in structural models (opens in new window)

Author(s): Robert A. Nicholls, Marcin Wojdyr, Robbie P. Joosten, Lucrezia Catapano, Fei Long, Marcus Fischer, Paul Emsley, Garib N. Murshudov
Published in: Acta Crystallographica Section D Structural Biology, Issue 77/6, 2021, ISSN 2059-7983
Publisher: IUCr
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A high-field cellular DNP-supported solid-state NMR approach to study proteins with sub-cellular specificity (opens in new window)

Author(s): Beriashvili D, Yao R, D'Amico F, Krafčíková M, Gurinov A, Safeer A, Cai X, Mulder MPC, Liu Y, Folkers GE, Baldus M
Published in: Chemical Science, 2023, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3sc02117c

Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan (opens in new window)

Author(s): Christina Pentari, Christos Kosinas, Efstratios Nikolaivits, Maria Dimarogona, Evangelos Topakas
Published in: Biotechnology and Bioengineering, Issue 121, 2024, Page(s) 2067-2078, ISSN 0006-3592
Publisher: Wiley - V C H Verlag GmbbH & Co.
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Structural Heterogeneity in a Phototransformable Fluorescent Protein Impacts its Photochemical Properties (opens in new window)

Author(s): Maity A, Wulffelé J, Ayala I, Favier A, Adam V, Bourgeois D, Brutscher B
Published in: Advanced Science, 2023, ISSN 2198-3844
Publisher: WIley
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Small molecule MMRi62 targets MDM4 for degradation and induces leukemic cell apoptosis regardless of p53 status (opens in new window)

Author(s): Lama R, Xu C, Galster SL, Querol-García J, Portwood S, Mavis CK, Ruiz FM, Martin D, Wu J, Giorgi MC, Bargonetti J, Wang ES, Hernandez-Ilizaliturri FJ, Koudelka GB, Chemler SR, Muñoz IG, Wang X
Published in: Frontiers in Oncology, 2022, ISSN 2234-943X
Publisher: Frontiers Media S. A.
DOI: 10.3389/fonc.2022.933446

Program VUE: analysing distributions of cryo-EM projections using uniform spherical grids (opens in new window)

Author(s): Urzhumtseva L, Barchet C, Klaholz BP, Urzhumtsev AG.
Published in: Journal of Applied Crystallography, 2024, ISSN 1600-5767
Publisher: IUCr
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High-resolution cryo-EM performance comparison of two latest-generation cryo electron microscopes on the human ribosome (opens in new window)

Author(s): Fréchin L, Holvec S, von Loeffelholz O, Hazemann I, Klaholz BP
Published in: Journal of Structural BIology, 2022, ISSN 1047-8477
Publisher: Academic Press
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Ligand binding to a Ni–Fe cluster orchestrates conformational changes of the CO-dehydrogenase–acetyl-CoA synthase complex (opens in new window)

Author(s): Jakob Ruickoldt, Julian Kreibich, Thomas Bick, Jae-Hun Jeoung, Benjamin R. Duffus, Silke Leimkühler, Holger Dobbek, Petra Wendler
Published in: Nature Catalysis, 2025, ISSN 2520-1158
Publisher: Springer Science and Business Media LLC
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Polθ is phosphorylated by PLK1 to repair double-strand breaks in mitosis (opens in new window)

Author(s): Gelot C, Kovacs MT, Miron S, Mylne E, Haan A, Boeffard-Dosierre L, Ghouil R, Popova T, Dingli F, Loew D, Guirouilh-Barbat J, Del Nery E, Zinn-Justin S, Ceccaldi R.
Published in: Nature, 2023, ISSN 0028-0836
Publisher: Nature Publishing Group
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A Fijivirus Major Viroplasm Protein Shows RNA-Stimulated ATPase Activity by Adopting Pentameric and Hexameric Assemblies of Dimers (opens in new window)

Author(s): Gabriela Llauger, Roberto Melero, Demián Monti, Gabriela Sycz, Cristián Huck-Iriart, María L. Cerutti, Sebastián Klinke, Evelyn Mikkelsen, Ariel Tijman, Rocío Arranz, Victoria Alfonso, Sofía M. Arellano, Fernando A. Goldbaum, Yann G. J. Sterckx, José-María Carazo, Sergio B. Kaufman, Pablo D. Dans, Mariana del Vas, Lisandro H. Otero
Published in: mBio, Issue 14, 2024, ISSN 2150-7511
Publisher: American Society for Microbiology
DOI: 10.1128/mbio.00023-23

Di-phosphorylated BAF shows altered structural dynamics and binding to DNA, but interacts with its nuclear envelope partners (opens in new window)

Author(s): Agathe Marcelot, Ambre Petitalot, Virginie Ropars, Marie-Hélène Le Du, Camille Samson, Stevens Dubois, Guillaume Hoffmann, Simona Miron, Philippe Cuniasse, Jose Antonio Marquez, Robert Thai, François-Xavier Theillet, Sophie Zinn-Justin
Published in: Nucleic Acids Research, 2021, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkab184

The complex structure of Fomes fomentarius represents an architectural design for high-performance ultralightweight materials (opens in new window)

Author(s): Pylkkänen R, Werner D, Bishoyi A, Weil D, Scoppola E, Wagermaier W, Safeer A, Bahri S, Baldus M, Paananen A, Penttilä M, Szilvay GR, Mohammadi P.
Published in: Science Advances, 2023, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.ade5417

Introducing NMR strategies to define water molecules that drive metal binding in a transcriptional regulator (opens in new window)

Author(s): Villarruel Dujovne M, Bringas M, Felli IC, Ravera E, Di Lella S, Capdevila DA
Published in: Journal of Magnetic Resonance Open, 2023, ISSN 2666-4410
Publisher: ScienceDirect/Elsevier
DOI: 10.1016/j.jmro.2023.100114

Evasion of cGAS and TRIM5 defines pandemic HIV (opens in new window)

Author(s): Zuliani-Alvarez L, Govasli ML, Rasaiyaah J, Monit C, Perry SO, Sumner RP, McAlpine-Scott S, Dickson C, Rifat Faysal KM, Hilditch L, Miles RJ, Bibollet-Ruche F, Hahn BH, Boecking T, Pinotsis N, James LC, Jacques DA, Towers GJ.
Published in: nature microbiology, Issue 20585276, 2022, ISSN 2058-5276
Publisher: Nature Portfolio
DOI: 10.1038/s41564-022-01247-0

SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design (opens in new window)

Author(s): Deborah Grifagni, Vito Calderone, Stefano Giuntini, Francesca Cantini, Marco Fragai, Lucia Banci
Published in: Chemical Communications, Issue 57/64, 2021, Page(s) 7910-7913, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1cc02956h

Dynamic interactions and Ca2+-binding modulate the holdase-type chaperone activity of S100B preventing tau aggregation and seeding (opens in new window)

Author(s): Guilherme G. Moreira, François-Xavier Cantrelle, Andrea Quezada, Filipa S. Carvalho, Joana S. Cristóvão, Urmi Sengupta, Nicha Puangmalai, Ana P. Carapeto, Mário S. Rodrigues, Isabel Cardoso, Güenter Fritz, Federico Herrera, Rakez Kayed, Isabelle Landrieu, Cláudio M. Gomes
Published in: Nature Communications, Issue 12/1, 2021, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-021-26584-2

Kinetic and Structural Studies of the Plastidial <i>Solanum tuberosum</i> Phosphorylase (opens in new window)

Author(s): Symeon M. Koulas, Efthimios Kyriakis, Anastasia S. Tsagkarakou, Demetres D. Leonidas
Published in: ACS Omega, 2024, ISSN 2470-1343
Publisher: ACS Publications
DOI: 10.1021/acsomega.4c06313

Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design (opens in new window)

Author(s): Fiorillo A, Colotti G, Exertier C, Liuzzi A, Seghetti F, Salerno A, Caciolla J, Ilari A.
Published in: Frontiers in molecular biosciences, 2022, ISSN 2296-889X
Publisher: Frontiers Media S.A.
DOI: 10.3389/fmolb.2022.900882

Structural Insights into the Role of β3 nAChR Subunit in the Activation of Nicotinic Receptors (opens in new window)

Author(s): Giastas P, Papakyriakou A, Tsafaras G, Tzartos SJ, Zouridakis M.
Published in: Molecules, 2022, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27144642

Secondary structure determination of conserved SARS-CoV-2 RNA elements by NMR spectroscopy (opens in new window)

Author(s): Anna Wacker, Julia E Weigand, Sabine R Akabayov, Nadide Altincekic, Jasleen Kaur Bains, Elnaz Banijamali, Oliver Binas, Jesus Castillo-Martinez, Erhan Cetiner, Betül Ceylan, Liang-Yuan Chiu, Jesse Davila-Calderon, Karthikeyan Dhamotharan, Elke Duchardt-Ferner, Jan Ferner, Lucio Frydman, Boris Fürtig, José Gallego, J Tassilo Grün, Carolin Hacker, Christina Haddad, Martin Hähnke, Martin Hengesb
Published in: Nucleic Acids Research, Issue 48/22, 2020, Page(s) 12415-12435, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkaa1013

Principal component analysis is limited to low-resolution analysis in cryoEM (opens in new window)

Author(s): Carlos Oscar S. Sorzano, Jose Maria Carazo
Published in: Acta Crystallographica Section D Structural Biology, Issue 77/6, 2021, Page(s) 835-839, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798321002291

Solid-state NMR - a complementary technique for protein framework characterization (opens in new window)

Author(s): Cerofolini L, Ramberg KO, Padilla LC, Antonik P, Ravera E, Luchinat C, Fragai M, Crowley PB.
Published in: Chemical Communications, 2023, ISSN 1364-548X
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2cc05725e

Targeting EPHA2 with Kinase Inhibitors in Colorectal Cancer (opens in new window)

Author(s): Tröster A, Jores N, Mineev KS, Sreeramulu S, DiPrima M, Tosato G, Schwalbe H.
Published in: ChemMedChem, 2023, ISSN 1860-7179
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/cmdc.202300420

A 3D Cartographic Description of the Cell by Cryo Soft X-ray Tomography (opens in new window)

Author(s): Johannes Groen, Andrea Sorrentino, Lucía Aballe, Robert Oliete, Ricardo Valcárcel, Chidinma Okolo, Ilias Kounatidis, Maria Harkiolaki, Ana Joaquina Pérez-Berná, Eva Pereiro
Published in: Journal of Visualized Experiments, Issue 169, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62190

Small-molecule MMRi36 induces apoptosis in p53-mutant lymphomas by targeting MDM2/MDM4/XIAP for degradation (opens in new window)

Author(s): Rati Lama, Wenjie Wu, Cory K. Mavis, Federico M. Ruiz, Javier Querol-García, Diana Martin, Sherry R. Chemler, Dhyan Chandra, David W. Goodrich, Francisco J. Hernandez-Ilizaliturri, Inés G. Muñoz, Xinjiang Wang
Published in: Frontiers in Oncology, Issue 14, 2024, ISSN 2234-943X
Publisher: Frontiers Media S. A.
DOI: 10.3389/fonc.2024.1462231

Unraveling the mechanism of [4Fe‐4S] cluster assembly on the N‐terminal cluster binding site of NUBP1 (opens in new window)

Author(s): Beatrice Bargagna, Sara Matteucci, Simone Ciofi‐Baffoni, Francesca Camponeschi, Lucia Banci
Published in: Protein Science, Issue 32, 2023, ISSN 0961-8368
Publisher: Cold Spring Harbor Laboratory Press
DOI: 10.1002/pro.4625

Strategies for Optimization of Cryogenic Electron Tomography Data Acquisition (opens in new window)

Author(s): Felix Weis, Wim J. H. Hagen, Martin Schorb, Simone Mattei
Published in: Journal of Visualized Experiments, Issue 169, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62383

EFFECTS of BORON SUPPLEMENTATION on DAIRY CALVES’ HEALTH: A METABOLOMICS STUDY (opens in new window)

Author(s): Abdullah Basoglu, ADAM ABDEL-AZIZ ADAM, NURI BASPINAR, ALESSIA VIGNOLI, GAIAI MEONI, Leonardo Tenori, Erdem Gullersoy, Rumeyhisa Bicici
Published in: Assiut Veterinary Medical Journal, 2023, Page(s) 0-0, ISSN 2314-5226
Publisher: The Faculty of Veterinary Medicine, Assiut University, Assiut, Egypt
DOI: 10.21608/avmj.2023.218730.1157

Epitope Mapping and Binding Assessment by Solid-State NMR Provide a Way for the Development of Biologics under the Quality by Design Paradigm (opens in new window)

Author(s): Domenico Rizzo, Linda Cerofolini, Stefano Giuntini, Luisa Iozzino, Carlo Pergola, Francesca Sacco, Angelo Palmese, Enrico Ravera, Claudio Luchinat, Fabio Baroni, Marco Fragai
Published in: Journal of the American Chemical Society, 2022, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.2c03232

Structure of the Borrelia bacteriophage φBB1 procapsid (opens in new window)

Author(s): Rūmnieks J, Füzik T, Tārs K.
Published in: Journal of Molecular Biology, 2023, ISSN 0022-2836
Publisher: Academic Press
DOI: 10.1016/j.jmb.2023.168323

Structural and bioinformatics analyses identify deoxydinucleotide-specific nucleases and their association with genomic islands in gram-positive bacteria (opens in new window)

Author(s): Sofia Mortensen, Stanislava Kuncová, Justin D Lormand, Tanner M Myers, Soo-Kyoung Kim, Vincent T Lee, Wade C Winkler, Holger Sondermann
Published in: Nucleic Acids Research, Issue 53, 2025, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkae1235

<scp>NMR</scp> screening of low molecular weight inhibitors targeting the papain‐like protease (<scp>PLPro</scp>) of <scp>SARS</scp>‐<scp>CoV</scp>‐2 (opens in new window)

Author(s): Dennis J. Pyper, Sridhar Sreeramulu, Benjamin T. Lanham, Elizabeth M. Engle, David Fushman, Harald Schwalbe
Published in: FEBS Open Bio, 2025, ISSN 2211-5463
Publisher: Elsevier BV
DOI: 10.1002/2211-5463.70082

Di-<i>meta</i>-Substituted Fluorinated Benzenesulfonamides as Potent and Selective Anticancer Inhibitors of Carbonic Anhydrase IX and XII (opens in new window)

Author(s): Aivaras Vaškevičius, Mantas Žvirblis, Maija Kurtenoka, Janis Leitans, Elena Manakova, Vaida Paketurytė-Latvė, Agnė Kvietkauskaitė, Andris Kazaks, Vladislava Eimonta, Kamilė Čerepenkaitė, Justina Kazokaitė-Adomaitienė, Aurelija Mickevičiu̅tė, Vaida Juozapaitienė, Kaspars Tars, Saulius Gražulis, Jurgita Matulienė, Virginija Dudutienė, Kirill Shubin, Daumantas Matulis, Asta Zubrien
Published in: Journal of Medicinal Chemistry, 2025, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.5c01142

Multitasking Pharmacophores Support Cabotegravir-Based Long-Acting HIV Pre-Exposure Prophylaxis (PrEP) (opens in new window)

Author(s): Wan Z, Shi M, Gong Y, Lucci M, Li J, Zhou J, Yang X-L, Lelli M, He X, Mao J.
Published in: Molecules, 2024, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules29020376

The COVID19-NMR Consortium: A Public Report on the Impact of this New Global Collaboration (opens in new window)

Author(s): Duchardt-Ferner E, Ferner J, Fürtig B, Hengesbach M, Richter C, Schlundt A, Sreeramulu S, Wacker A, Weigand JE, Wirmer-Bartoschek J, Schwalbe H.
Published in: Angewandte Chemie, 2023, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/ange.202217171

The future of integrated structural biology (opens in new window)

Author(s): Harald Schwalbe, Pauline Audergon, Natalie Haley, Claudia Alen Amaro, Jon Agirre, Marc Baldus, Lucia Banci, Wolfgang Baumeister, Martin Blackledge, Jose Maria Carazo, Kristina Djinovic Carugo, Patrick Celie, Isabella Felli, Darren J. Hart, Thomas Hauß, Lari Lehtiö, Kresten Lindorff-Larsen, José Márquez, André Matagne, Roberta Pierattelli, Antonio Rosato, Frank Sobott, Sridhar Sreeramulu, Jan
Published in: Structure, 2024, ISSN 0969-2126
Publisher: Cell Press
DOI: 10.1016/j.str.2024.08.014

Structural and biochemical characterization of the C‐terminal region of the human <scp>RTEL</scp>1 helicase (opens in new window)

Author(s): Giuseppe Cortone, Melissa A. Graewert, Manil Kanade, Antonio Longo, Raghurama Hegde, Amaia González‐Magaña, Belén Chaves‐Arquero, Francisco J. Blanco, Luisa M. R. Napolitano, Silvia Onesti
Published in: Protein Science, Issue 33, 2024, ISSN 0961-8368
Publisher: Cold Spring Harbor Laboratory Press
DOI: 10.1002/pro.5093

X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX (opens in new window)

Author(s): Isabelle Petit-Hartlein, Annelise Vermot, Michel Thepaut, Anne-Sophie Humm, Florine Dupeux, Jerome Dupuy, Vincent Chaptal, Jose Antonio Marquez, Susan ME Smith, Franck Fieschi
Published in: eLife, Issue 13, 2024, ISSN 2050-084X
Publisher: eLife Sciences Publications
DOI: 10.7554/elife.93759

NMR characterization and ligand binding site of the stem loop 2 motif (s2m) from the Delta variant of SARS-CoV-2 (opens in new window)

Author(s): Matzel T, Wirtz Martin M, Herr A, Wacker A, Richter C, Sreeramulu S, Schwalbe H.
Published in: Matzel T, Wirtz Martin M, Herr A, Wacker A, Richter C, Sreeramulu S, Schwalbe H., 2024, ISSN 1469-9001
Publisher: Cold Spring Harbor Laboratory Press
DOI: 10.1261/rna.079902.123

Protein in-cell NMR spectroscopy at 1.2 GHz (opens in new window)

Author(s): Enrico Luchinat, Letizia Barbieri, Matteo Cremonini, Lucia Banci
Published in: Journal of Biomolecular NMR, 2021, ISSN 0925-2738
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s10858-021-00358-w

Ultra-high Performance Liquid Chromatography−Ion Mobility−High-Resolution Mass Spectrometry to Evaluate the Metabolomic Response of Durum Wheat to Sustainable Treatments (opens in new window)

Author(s): Riboni N, Bianchi F, Mattarozzi M, Caldara M, Gullì M, Graziano S, Maestri E, Marmiroli N, Careri M.
Published in: J Agric Food Chem, 2023, ISSN 0021-8561
Publisher: American Chemical Society
DOI: 10.1021/acs.jafc.3c04532

Discovery of a functionally selective serotonin receptor (5-HT1AR) agonist for the treatment of pain (opens in new window)

Author(s): Ullrich A, Schneider J, Braz JM, Neu E, Staffen N, Stanek M, Bláhová J, Hove T, Albert T, Allikalt A, Löber S, Bhardwaj K, Rodriguez-Rosado S, Fink E, Rasmussen T, Hübner H, Inoue A, Shoichet BK, Basbaum AI, Böttcher B, Weikert D, Gmeiner P.
Published in: Science Advances, 2025, ISSN 2375-2548
Publisher: AAAS
DOI: 10.1126/sciadv.adv926

Backbone and side chain resonance assignment of the intrinsically disordered human DBNDD1 protein (opens in new window)

Author(s): Wiedemann C, Obika KB, Liebscher S, Jirschitzka J, Ohlenschläger O, Bordusa F.
Published in: Biomol NMR Assign., 2022, ISSN 1874-2718
Publisher: Springer Verlag
DOI: 10.1007/s12104-022-10086-3

Toward Dual-Target Glycomimetics against Two Bacterial Lectins to Fight <i>Pseudomonas aeruginosa</i>–<i>Burkholderia cenocepacia</i> Infections: A Biophysical Study (opens in new window)

Author(s): Giulia Antonini, Mario Fares, Dirk Hauck, Patrycja Mała, Emilie Gillon, Laura Belvisi, Anna Bernardi, Alexander Titz, Annabelle Varrot, Sarah Mazzotta
Published in: Journal of Medicinal Chemistry, 2025, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.5c00405

Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology Applications (opens in new window)

Author(s): Nadide Altincekic, Sophie Marianne Korn, Nusrat Shahin Qureshi, Marie Dujardin, Martí Ninot-Pedrosa, Rupert Abele, Marie Jose Abi Saad, Caterina Alfano, Fabio C. L. Almeida, Islam Alshamleh, Gisele Cardoso de Amorim, Thomas K. Anderson, Cristiane D. Anobom, Chelsea Anorma, Jasleen Kaur Bains, Adriaan Bax, Martin Blackledge, Julius Blechar, Anja Böckmann, Louis Brigandat, Anna Bula, Matthias Büt
Published in: Frontiers in Molecular Biosciences, Issue 8, 2021, ISSN 2296-889X
Publisher: Frontiers Media SA
DOI: 10.3389/fmolb.2021.653148

Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials (opens in new window)

Author(s): David Herreros, Roy R. Lederman, James Krieger, Amaya Jiménez-Moreno, Marta Martínez, David Myška, David Strelak, Jiri Filipovic, Ivet Bahar, Jose Maria Carazo, Carlos Oscar S. Sanchez
Published in: IUCrJ, Issue 8/6, 2021, ISSN 2052-2525
Publisher: IUCrJ
DOI: 10.1107/s2052252521008903

Solid‐state NMR Reveals Reorganization of the Aspergillus fumigatus Cell Wall Due to a Host‐Defence Peptide (opens in new window)

Author(s): Ajit Kumar Bishoyi, Jacq van Neer, Salima Bahri, Sophie Lorenz, Hans de Cock, Marc Baldus
Published in: Angewandte Chemie International Edition, 2025, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202509012

Scipion3: A workflow engine for cryo-electron microscopy image processing and structural biology (opens in new window)

Author(s): Conesa P, Fonseca YC, Jiménez de la Morena J, Sharov G, de la Rosa-Trevín JM, Cuervo A, García Mena A, Rodríguez de Francisco B, del Hoyo D, Herreros D, Marchan D, Strelak D, Fernández-Giménez E, Ramírez-Aportela E, de Isidro-Gómez FP, Sánchez I, Krieger J, Vilas JL, del Cano L, Gragera M, Iceta M, Martínez M, Losana P, Melero R, Marabini R, Carazo JM, Sorzano COS.
Published in: Biological Imaging, 2023, ISSN 2633-903X
Publisher: Cambridge University Press
DOI: 10.1017/s2633903x23000132

Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans (opens in new window)

Author(s): Hassani Nia F, Woike D, Bento I, Niebling S, Tibbe D, Schulz K, Hirnet D, Skiba M, Hönck HH, Veith K, Günther C, Scholz T, Bierhals T, Driemeyer J, Bend R, Failla AV, Lohr C, Alai MG, Kreienkamp HJ
Published in: Molecular Psychiatry, 2022, ISSN 1359-4184
Publisher: Nature Publishing Group
DOI: 10.1038/s41380-022-01882-3

Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops (opens in new window)

Author(s): Ioannou E, Papageorgiou AC, Labrou NE.
Published in: International Journal of Molecular Sciences, 2022, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms23137469

Analysis and validation of overall N-glycan conformation in Privateer (opens in new window)

Author(s): Dialpuri JS, Bagdonas H, Atanasova M, Schofield LC, Hekkelman ML, Joosten RP, Agirre J.
Published in: Acta Crystallogr D Struct Biol, 2023, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798323003510

Teixobactin kills bacteria by a two-pronged attack on the cell envelope (opens in new window)

Author(s): Shukla R, Lavore F, Maity S, Derks MGN, Jones CR, Vermeulen BJA, Melcrová A, Morris MA, Becker LM, Wang X, Kumar R, Medeiros-Silva J, van Beekveld RAM, Bonvin AMJJ, Lorent JH, Lelli M, Nowick JS, MacGillavry HD, Peoples AJ, Spoering AL, Ling LL, Hughes DE, Roos WH, Breukink E, Lewis K, Weingarth M.
Published in: Nature, 2022, ISSN 1476-4687
Publisher: Nature Research (subsidiary of Springer Nature)
DOI: 10.1038/s41586-022-05019-y

Cryo-EM structure of transcription termination factor Rho from Mycobacterium tuberculosis reveals bicyclomycin resistance mechanism (opens in new window)

Author(s): Saridakis E, Vishwakarma R, Lai-Kee-Him J, Martin K, Simon I, Cohen-Gonsaud M, Coste F, Bron P, Margeat E, Boudvillain M
Published in: Commun Biol., Issue 5(1):120, 2022, ISSN 2399-3642
Publisher: Springer Nature Limited
DOI: 10.1038/s42003-022-03069-6

Amyloid fibril structure from the vascular variant of systemic AA amyloidosis. (opens in new window)

Author(s): Banerjee S, Baur J, Daniel C, Pfeiffer PB, Hitzenberger M, Kuhn L, Wiese S, Bijzet J, Haupt C, Amann KU, Zacharias M, Hazenberg BPC, Westermark GT, Schmidt M, Fändrich M.
Published in: Nature Communications, 2022, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-022-34636-4

The Internal Structural Dynamics of Elastin-Like Polypeptide Assemblies by <sup>13</sup>C-Direct Detected NMR Spectroscopy (opens in new window)

Author(s): Dörte Brandis, Pavel Kadeřávek, Dennis Kurzbach
Published in: Analytical Chemistry, 2025, ISSN 0003-2700
Publisher: American Chemical Society
DOI: 10.1021/acs.analchem.4c05163

AlphaFill: enriching AlphaFold models with ligands and cofactors (opens in new window)

Author(s): Hekkelman ML, De Vries I, Joosten RP, Perrakis A
Published in: Nature Methods, Issue 15487091, 2022, ISSN 1548-7091
Publisher: Nature Publishing Group
DOI: 10.1038/s41592-022-01685-y

The structured organization of Deinococcus radiodurans' cell envelope (opens in new window)

Author(s): Farci D, Haniewicz P, Piano D.
Published in: Proc Natl Acad Sci U S A., 2022, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2209111119

splitSMLM, a spectral demixing method for high-precision multi-color localization microscopy applied to nuclear pore complexes (opens in new window)

Author(s): Andronov L, Genthial R, Hentsch D, Klaholz BP.
Published in: Communications Biology, Issue 23993642, 2022, ISSN 2399-3642
Publisher: Nature Portfolio
DOI: 10.1038/s42003-022-04040-1

The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans (opens in new window)

Author(s): Farci D, Graça AT, Iesu L, de Sanctis D, Piano D.
Published in: Journal of Biological Chemistry, 2022, ISSN 0021-9258
Publisher: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102784

Improved detection of magnetic interactions in proteins based on long-lived coherences (opens in new window)

Author(s): Ianc O, Teleanu F, Ciumeică A, Lupulescu A, Sadet A, Vasos PR.
Published in: Communications Chemistry, 2024, ISSN 2399-3669
Publisher: Nature Portfolio
DOI: 10.1038/s42004-024-01195-2

Purification and Structural Characterization of the Auxiliary Activity 9 Native Lytic Polysaccharide Monooxygenase from Thermoascus aurantiacus and Identification of Its C1- and C4-Oxidized Reaction Products (opens in new window)

Author(s): Weishuai Yu, Imran Mohsin, Anastassios C. Papageorgiou and Duochuan Li
Published in: Catalysts, 2022, ISSN 2073-4344
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal12020139

In-cell NMR suggests that DNA i-motif levels are strongly depleted in living human cells (opens in new window)

Author(s): Víšková P, Ištvánková E, Ryneš J, Džatko Š, Loja T, Živković ML, Rigo R, El-Khoury R, Serrano-Chacón I, Damha MJ, González C, Mergny JL, Foldynová-Trantírková S, Trantírek L.
Published in: Nature Communications, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-46221-y

PAXX binding to the NHEJ machinery explains functional redundancy with XLF (opens in new window)

Author(s): Seif-El-Dahan M, Kefala-Stavridi A, Frit P, Hardwick SW, Chirgadze DY, Maia De Oliviera T, Britton S, Barboule N, Bossaert M, Pandurangan AP, Meek K, Blundell TL, Ropars V, Calsou P, Charbonnier JB, Chaplin AK
Published in: Science Advances, 2023, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.adg2834

Cryo-EM structure of a lysozyme-derived amyloid fibril from hereditary amyloidosis (opens in new window)

Author(s): Sara Karimi-Farsijani, Kartikay Sharma, Marijana Ugrina, Lukas Kuhn, Peter Benedikt Pfeiffer, Christian Haupt, Sebastian Wiese, Ute Hegenbart, Stefan O. Schönland, Nadine Schwierz, Matthias Schmidt, Marcus Fändrich
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-54091-7

Structural rearrangement of amyloid-β upon inhibitor binding suppresses formation of Alzheimer’s disease related oligomers (opens in new window)

Author(s): Tobias Lieblein, Rene Zangl, Janosch Martin, Jan Hoffmann, Marie J Hutchison, Tina Stark, Elke Stirnal, Thomas Schrader, Harald Schwalbe, Nina Morgner
Published in: eLife, Issue 9, 2020, ISSN 2050-084X
Publisher: eLife Sciences Publications
DOI: 10.7554/elife.59306

NMR quality control of fragment libraries for screening (opens in new window)

Author(s): Sridhar Sreeramulu, Christian Richter, Till Kuehn, Kamal Azzaoui, Marcel Jules José Blommers, Rebecca Del Conte, Marco Fragai, Nils Trieloff, Peter Schmieder, Marc Nazaré, Edgar Specker, Vladimir Ivanov, Hartmut Oschkinat, Lucia Banci, Harald Schwalbe
Published in: Journal of Biomolecular NMR, 2020, ISSN 0925-2738
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s10858-020-00327-9

Development of in vitro-grown spheroids as a 3D tumor model system for solid-state NMR spectroscopy (opens in new window)

Author(s): Reinier Damman, Alessandra Lucini Paioni, Katerina T. Xenaki, Irati Beltrán Hernández, Paul M. P. van Bergen en Henegouwen, Marc Baldus
Published in: Journal of Biomolecular NMR, Issue June 19 2020, 2020, ISSN 0925-2738
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s10858-020-00328-8

The basics of small-angle neutron scattering (SANS for new users of structural biology) (opens in new window)

Author(s): Cy M. Jeffries, Zuzanna Pietras, Dmitri I. Svergun
Published in: EPJ Web of Conferences, Issue 236, 2020, Page(s) 03001, ISSN 2100-014X
Publisher: EDP Sciences
DOI: 10.1051/epjconf/202023603001

Structure-Based Identification and Functional Characterization of a Lipocalin in the Malaria Parasite Plasmodium falciparum (opens in new window)

Author(s): Paul-Christian Burda, Thomas Crosskey, Katharina Lauk, Aimo Zurborg, Christoph Söhnchen, Benjamin Liffner, Louisa Wilcke, Emma Pietsch, Jan Strauss, Cy M. Jeffries, Dmitri I. Svergun, Danny W. Wilson, Matthias Wilmanns, Tim-Wolf Gilberger
Published in: Cell Reports, Issue 31/12, 2020, Page(s) 107817, ISSN 2211-1247
Publisher: Cell Press
DOI: 10.1016/j.celrep.2020.107817

Anomeric Selectivity of Trehalose Transferase with Rare l -Sugars (opens in new window)

Author(s): Luuk Mestrom, Stefan R. Marsden, Hessel van der Eijk, Jesper U. Laustsen, Cy M. Jeffries, Dmitri I. Svergun, Peter-Leon Hagedoorn, Isabel Bento, Ulf Hanefeld
Published in: ACS Catalysis, Issue 10/15, 2020, Page(s) 8835-8839, ISSN 2155-5435
Publisher: American Chemical Society
DOI: 10.1021/acscatal.0c02117

19F‐NMR‐based fragment screening for 14 different biologically active RNAs and 10 DNA and protein counter‐screens (opens in new window)

Author(s): Oliver Binas, Vanessa de Jesus, Tom Landgraf, Albrecht Eduard Völklein, Jason Martins, Daniel Hymon, Hannes Berg, Jasleen Kaur Bains, Thomas Biedenbänder, Boris Fürtig, Santosh Lakshmi Gande, Anna Niesteruk, Andreas Oxenfarth, Nusrat Shahin Qureshi, Tatjana Schamber, Robbin Schnieders, Alix Tröster, Anna Wacker, Julia Wirmer-Bartoschek, Maria Alexandra Wirtz Martin, Elke Stirnal, Kamal Azzaoui
Published in: ChemBioChem, Issue Aug 14 2020, 2020, ISSN 1439-4227
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cbic.202000476

Cryo-Structured Illumination Microscopic Data Collection from Cryogenically Preserved Cells (opens in new window)

Author(s): Nina Vyas, Nina Perry, Chidinma A. Okolo, Ilias Kounatidis, Thomas M. Fish, Kamal L. Nahas, Archana Jadhav, Mohamed A. Koronfel, Johannes Groen, Eva Pereiro, Ian M. Dobbie, Maria Harkiolaki
Published in: Journal of Visualized Experiments, Issue 171, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62274

Scipion Flexibility Hub: an integrative framework for advanced analysis of conformational heterogeneity in cryoEM (opens in new window)

Author(s): Herreros D, Krieger JM, Fonseca Y, Conesa P, Harastani M, Vuillemot R, Hamitouche I, Serrano Gutiérrez R, Gragera M, Melero R, Jonic S, Carazo JM, Sorzano COS
Published in: Acta Crystallogr D Struct Biol, 2023, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798323004497

Structural insights into the mechanism of DNA branch migration during homologous recombination in bacteria (opens in new window)

Author(s): Leonardo Talachia Rosa, Émeline Vernhes, Anne-Lise Soulet, Patrice Polard, Rémi Fronzes
Published in: The EMBO Journal, 2024, ISSN 1460-2075
Publisher: European Molecular Biology Organization, Nature Portfolio
DOI: 10.1038/s44318-024-00264-5

3D Heteronuclear Magnetization Transfers for the Establishment of Secondary Structures in SARS-CoV-2-Derived RNAs (opens in new window)

Author(s): Jihyun Kim, Mihajlo Novakovic, Sundaresan Jayanthi, Adonis Lupulescu, Eriks Kupce, J. Tassilo Grün, Klara Mertinkus, Andreas Oxenfarth, Christian Richter, Robbin Schnieders, Julia Wirmer-Bartoschek, Harald Schwalbe, Lucio Frydman
Published in: Journal of the American Chemical Society, 2021, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.1c01914

Heteronuclear decoupling with Rotor-Synchronized Phase-Alternated Cycles (opens in new window)

Author(s): Simion A, Schubeis T, Tanguy Le Marchand T, Vasilescu M, Pintacuda G, Lesage A, Filip C
Published in: The Journal of Chemical Physics, 2022, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0098135

NMR Studies on the Structure of Yeast Sis1 and the Dynamics of Its Interaction with Ssa1-EEVD (opens in new window)

Author(s): Carolina O. Matos, Glaucia M. S. Pinheiro, Icaro P. Caruso, Gisele C. Amorim, Fabio C. L. Almeida, Carlos H. I. Ramos
Published in: Molecules, Issue 30, 2024, Page(s) 11, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules30010011

Conservation and divergence of the G-interfaces of Drosophila melanogaster septins (opens in new window)

Author(s): de Freitas Fernandes A, Leonardo DA, Cavini IA, Rosa HVD, Vargas JA, D'Muniz Pereira H, Nascimento AS, Garratt RC
Published in: Cytoskeleton (Hoboken), 2022, ISSN 1949-3584
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/cm.21740

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble. (opens in new window)

Author(s): Irina Cornaciu, Raphael Bourgeas, Guillaume Hoffmann, Florine Dupeux, Anne-Sophie Humm, Vincent Mariaule, Andrea Pica, Damien Clavel, Gael Seroul, Peter Murphy, José Antonio Márquez
Published in: Journal of Visualized Experiments, Issue 172, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62491

The structure of the <i>Vibrio natriegens</i> 70S ribosome in complex with the proline-rich antimicrobial peptide Bac5(1–17) (opens in new window)

Author(s): Karoline Raulf, Timm O Koller, Bertrand Beckert, Alexander Lepak, Martino Morici, Mario Mardirossian, Marco Scocchi, Gert Bange, Daniel N Wilson
Published in: Nucleic Acids Research, Issue 53, 2025, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkaf324

An automated platform for structural analysis of membrane proteins through serial crystallography (opens in new window)

Author(s): Robert D. Healey, Shibom Basu, Anne-Sophie Humm, Cedric Leyrat, Xiaojing Cong, Jérome Golebiowski, Florine Dupeux, Andrea Pica, Sébastien Granier, José Antonio Márquez
Published in: bioRxiv, Issue June 3, 2021, 2021, ISSN 0362-4331
Publisher: New York Times Company
DOI: 10.1101/2021.06.03.446146

Sarbecovirus programmed ribosome frameshift RNA element folding studied by NMR spectroscopy and comparative analyses (opens in new window)

Author(s): María Hernández-Marín, Ángel Cantero-Camacho, Ignacio Mena, Sergio López-Núñez, Adolfo García-Sastre, José Gallego
Published in: Nucleic Acids Research, 2024, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkae704

Direct Expression of Fluorinated Proteins in Human Cells for 19F In-Cell NMR Spectroscopy (opens in new window)

Author(s): Pham LBT, Costantino A, Barbieri L, Calderone V, Luchinat E, Banci L.
Published in: J Am Chem Soc, 2023, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.2c12086

Shedding Light on Osteosarcoma Cell Differentiation: Impact on Biomineralization and Mitochondria Morphology (opens in new window)

Author(s): Rossi F, Picone G, Cappadone C, Sorrentino A, Columbaro M, Farruggia G, Catelli E, Sciutto G, Prati S, Oliete R, Pasini A, Pereiro E, Iotti S, Malucelli E
Published in: International Journal of Molecular Sciences, 2023, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms24108559

Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin (opens in new window)

Author(s): Jan Wollenhaupt, Tatjana Barthel, Gustavo M. A. Lima, Alexander Metz, Dirk Wallacher, Elmir Jagudin, Franziska U. Huschmann, Thomas Hauß, Christian G. Feiler, Martin Gerlach, Michael Hellmig, Ronald Förster, Michael Steffien, Andreas Heine, Gerhard Klebe, Uwe Mueller, Manfred S. Weiss
Published in: Journal of Visualized Experiments, Issue 169, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62208

Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes (opens in new window)

Author(s): Lidia Ruiz, Zuzanna Kaczmarska, Tiago Gomes, Eric Aragon, Carles Torner, Regina Freier, Blazej Baginski, Pau Martin-Malpartida, Natàlia de Martin Garrido, José. A. Marquez, Tiago N. Cordeiro, Radoslaw Pluta, Maria J. Macias
Published in: Computational and Structural Biotechnology Journal, Issue 19, 2021, Page(s) 632-646, ISSN 2001-0370
Publisher: Elsevier
DOI: 10.1016/j.csbj.2020.12.044

In‐cell NMR of functional riboswitch aptamers in eukaryotic cells (opens in new window)

Author(s): P. Broft, S. Dzatko, M. Krafcikova, Robert Hansel-Hertsch, A. Wacker, Volker Doetsch, L. Trantirek, Harald Schwalbe
Published in: Angewandte Chemie International Edition, 2020, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202007184

Magnetotactic bacteria from diverse <i>Pseudomonadota</i> families biomineralize intracellular Ca-carbonate (opens in new window)

Author(s): Camille C Mangin, Karim Benzerara, Marine Bergot, Nicolas Menguy, Béatrice Alonso, Stéphanie Fouteau, Raphaël Méheust, Daniel Chevrier, Christian Godon, Elsa Turrini, Neha Mehta, Arnaud Duverger, Cynthia Travert, Vincent Busigny, Elodie Duprat, Romain Bolzoni, Corinne Cruaud, Eric Viollier, Didier Jézéquel, David Vallenet, Christopher T Lefèvre, Caroline L Monteil
Published in: The ISME Journal, 2025, ISSN 1751-7362
Publisher: Nature Publishing Group
DOI: 10.1093/ismejo/wrae260

Adding Size Exclusion Chromatography (SEC) and Light Scattering (LS) Devices to Obtain High-Quality Small Angle X-Ray Scattering (SAXS) Data (opens in new window)

Author(s): Melissa A. Graewert, Stefano Da Vela, Tobias W. Gräwert, Dmitry S. Molodenskiy, Clément E. Blanchet, Dmitri I. Svergun, Cy M. Jeffries
Published in: Crystals, Issue 10/11, 2020, Page(s) 975, ISSN 2073-4352
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/cryst10110975

Magnetization transfer to enhance NOE cross‐peaks among labile protons: Applications to imino‐imino sequential walks in SARS‐CoV‐2‐derived RNAs (opens in new window)

Author(s): Mihajlo Novakovic, Eriks Kupce, Tali Scherf, Andreas Oxenfarth, Robbin Schnieders, Tassilo Grün, Julia Wirmer-Bartoschek, Christian Richter, Harald Schwalbe, Lucio Frydman
Published in: Angewandte Chemie International Edition, 2021, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202015948

Cryo-EM structure of the fully assembled Elongator complex. (opens in new window)

Author(s): Jaciuk M, Scherf D, Kaszuba K, Gaik M, Rau A, Kościelniak A, Krutyhołowa R, Rawski M, Indyka P, Graziadei A, Chramiec-Głąbik A, Biela A, Dobosz D, Lin TY, Abbassi NE, Hammermeister A, Rappsilber J, Kosinski J, Schaffrath R, Glatt S.
Published in: Nucleic Acid Research, 2023, ISSN 1362-4962
Publisher: Oxford Academic
DOI: 10.1093/nar/gkac1232

The Molecular Chaperone CCT Sequesters Gelsolin and Protects it from Cleavage by Caspase-3 (opens in new window)

Author(s): Cuéllar J, Vallin J, Svanström A, Maestro-López M, Bueno-Carrasco MT, Ludlam WG, Willardson BM, Valpuesta JM, Grantham J
Published in: J Mol Biol, 2021, ISSN 0022-2836
Publisher: Academic Press
DOI: 10.1016/j.jmb.2021.167399

Biomimetic, peptide-guided silica formation by real-time NMR of elastin-like and R5 fusion peptides – Bimodal peptide aggregation drives dual-pathway silicification mechanisms (opens in new window)

Author(s): Dörte Brandis, Dominik Obrist, Martin F.T. Haßler, Dennis Kurzbach
Published in: Journal of Molecular Biology, 2025, Page(s) 169303, ISSN 0022-2836
Publisher: Academic Press
DOI: 10.1016/j.jmb.2025.169303

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source (opens in new window)

Author(s): Alice Douangamath, Ailsa Powell, Daren Fearon, Patrick M. Collins, Romain Talon, Tobias Krojer, Rachael Skyner, Jose Brandao-Neto, Louise Dunnett, Alexandre Dias, Anthony Aimon, Nicholas M. Pearce, Conor Wild, Tyler Gorrie-Stone, Frank von Delft
Published in: Journal of Visualized Experiments, Issue 171, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62414

Periplasmic protein quality control at atomic level in live cells (opens in new window)

Author(s): Lisandro J. González, Francisco J. Hita, Letizia Pontoriero, Roberta Pierattelli, Andres Binolfi, Alejandro J. Vila
Published in: Nature Communications, Issue 16, 2025, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-025-62340-6

Enlarging the scenario of site directed 19F labeling for NMR spectroscopy of biomolecules (opens in new window)

Author(s): Vitali V, Torricella F, Massai L, Messori L, Banci L.
Published in: Scientific reports, 2023, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-023-49247-2

Optimising in-cell NMR acquisition for nucleic acids (opens in new window)

Author(s): Annecke HTP, Eidelpes R, Feyrer H, Ilgen J, Gürdap CO, Dasgupta R, Petzold K
Published in: J Biomol NMR, 2024, ISSN 0925-2738
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s10858-024-00448-5

Engineered Nonviral Protein Cages Modified for MR Imaging (opens in new window)

Author(s): Kaster MA, Levasseur MD, Edwardson TGW, Caldwell MA, Hofmann D, Licciardi G, Parigi G, Luchinat C, Hilvert D, Meade TJ
Published in: ACS Applied Bio Materials, 2023, ISSN 2576-6422
Publisher: American Chemical Society
DOI: 10.1021/acsabm.2c00892

Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC (opens in new window)

Author(s): Gárdonyi M, Hasewinkel C, Wallbaum J, Wollenhaupt J, Weiss MS, Klebe G, Reuter K, Heine A
Published in: ACS Omega, 2023, ISSN 2470-1343
Publisher: American Chemical Society
DOI: 10.1021/acsomega.3c07058

Emerging Themes in CryoEM─Single Particle Analysis Image Processing (opens in new window)

Author(s): Vilas JL, Carazo JM, Sorzano COS
Published in: Chemical Reviews, 2022, ISSN 0009-2665
Publisher: American Chemical Society
DOI: 10.1021/acs.chemrev.1c00850

X-ray structure of the metastable SEPT14-SEPT7 coiled coil reveals a hendecad region crucial for heterodimerization (opens in new window)

Author(s): Cavini IA, Winter AJ, D'Muniz Pereira H, Woolfson DN, Crump MP, Garratt RC
Published in: Acta Crystallogr D Struct Biol, 2023, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798323006514

Mg2+-dependent conformational equilibria in CorA and an integrated view on transport regulation (opens in new window)

Author(s): Johansen NT, Bonaccorsi M, Bengtsen T, Larsen AH, Tidemand FG, Pedersen MC, Huda P, Berndtsson J, Darwish T, Yepuri NR, Martel A, Pomorski TG, Bertarello A, Sansom M, Rapp M, Crehuet R, Schubeis T, Lindorff-Larsen K, Pintacuda G, Arleth L.
Published in: Elife, 2022, ISSN 2050-084X
Publisher: eLife Sciences Publications
DOI: 10.7554/elife.71887

Secretory IgA and T cells targeting SARS-CoV-2 spike protein are transferred to the breastmilk upon mRNA vaccination (opens in new window)

Author(s): Juliana Goncalves, A. Margarida Juliano, Nadia Charepe, Marta Alenquer, Diogo Athayde, Filipe Ferreira, Margarida Archer, Maria Joao Amorim, Fatima Serrano, Helena Soares
Published in: Cell Reports Medicine, 2021, ISSN 2666-3791
Publisher: Cell Press
DOI: 10.1016/j.xcrm.2021.100468

Structural and Functional Characterization of the Newly Designed Antimicrobial Peptide Crabrolin21 (opens in new window)

Author(s): Cantini F, Giannì P, Bobone S, Troiano C, van Ingen H, Massoud R, Perini N, Migliore L, Savarin P, Sanders C, Stella L, Sette M
Published in: Membranes, 2023, ISSN 2077-0375
Publisher: Molecular Diversity Preservation International
DOI: 10.3390/membranes13030365

The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions (opens in new window)

Author(s): Farci D, Haniewicz P, de Sanctis D, Iesu L, Kereïche S, Winterhalter M, Piano D.
Published in: J Biol Chem., 2022, ISSN 0021-9258
Publisher: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102031

1H‑Detected Biomolecular NMR under Fast Magic-Angle Spinning (opens in new window)

Author(s): Le Marchand T, Schubeis T, Bonaccorsi M, Paluch P, Lalli D, Pell AJ, Andreas LB, Jaudzems K, Stanek J, Pintacuda G.
Published in: Chemical Reviews, 2022, ISSN 1520-6890
Publisher: ACS
DOI: 10.1021/acs.chemrev.1c00918

iNEXT-Discovery and Instruct-ERIC: Integrating High-End Services for Translational Research in Structural Biology (opens in new window)

Author(s): Hans Wienk, Lucia Banci, Susan Daenke, Eva Pereiro, Harald Schwalbe, David Ian Stuart, Manfred S. Weiss, Anastassis Perrakis
Published in: Journal of Visualized Experiments, Issue 177, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/63435

Molecular basis for transposase activation by a dedicated AAA+ ATPase (opens in new window)

Author(s): de la Gándara Á, Spínola-Amilibia M, Araújo-Bazán L, Núñez-Ramírez R, Berger JM, Arias-Palomo E.
Published in: Nature, 2024, ISSN 1476-4687
Publisher: Springer Nature
DOI: 10.1038/s41586-024-07550-6

RAPP-containing arrest peptides induce translational stalling by short circuiting the ribosomal peptidyltransferase activity (opens in new window)

Author(s): Morici M, Gabrielli S, Fujiwara K, Paternoga H, Beckert B, Bock LV, Chiba S, Wilson DN
Published in: Nature Communications, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-46761-3

A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking (opens in new window)

Author(s): Jill Trewhella, Patrice Vachette, Jan Bierma, Clement Blanchet, Emre Brookes, Srinivas Chakravarthy, Leonie Chatzimagas, Thomas E. Cleveland, Nathan Cowieson, Ben Crossett, Anthony P. Duff, Daniel Franke, Frank Gabel, Richard E. Gillilan, Melissa Graewert, Alexander Grishaev, J. Mitchell Guss, Michal Hammel, Jesse Hopkins, Qingqui Huang, Jochen S. Hub, Greg L. Hura, Thomas C. Irving, Cy Michael Je
Published in: Acta Crystallographica Section D Structural Biology, Issue 78, 2022, Page(s) 1315-1336, ISSN 2059-7983
Publisher: Wiley
DOI: 10.1107/s2059798322009184

Modelling covalent linkages in CCP 4 (opens in new window)

Author(s): Robert A. Nicholls, Robbie P. Joosten, Fei Long, Marcin Wojdyr, Andrey Lebedev, Eugene Krissinel, Lucrezia Catapano, Marcus Fischer, Paul Emsley, Garib N. Murshudov
Published in: Acta Crystallographica Section D Structural Biology, Issue 77/6, 2021, ISSN 2059-7983
Publisher: IUCr
DOI: 10.1107/s2059798321001753

Combining Solid‐State NMR with Structural and Biophysical Techniques to Design Challenging Protein‐Drug Conjugates (opens in new window)

Author(s): Linda Cerofolini, Kristian Vasa, Elisa Bianconi, Maria Salobehaj, Giulia Cappelli, Alice Bonciani, Giulia Licciardi, Anna Pérez‐Ràfols, Luis Padilla‐Cortés, Sabrina Antonacci, Domenico Rizzo, Enrico Ravera, Caterina Viglianisi, Vito Calderone, Giacomo Parigi, Claudio Luchinat, Antonio Macchiarulo, Stefano Menichetti, Marco Fragai
Published in: Angewandte Chemie International Edition, Issue 62, 2023, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202303202

Mixed‐Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids** (opens in new window)

Author(s): Andrei Gurinov, Benedikt Sieland, Andrey Kuzhelev, Hossam Elgabarty, Thomas D. Kühne, Thomas Prisner, Jan Paradies, Marc Baldus, Konstantin L. Ivanov, Svetlana Pylaeva
Published in: Angewandte Chemie International Edition, Issue 60/28, 2021, Page(s) 15371-15375, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202103215

GluA4 AMPA receptor gating mechanisms and modulation by auxiliary proteins (opens in new window)

Author(s): Carlos Vega-Gutiérrez, Javier Picañol-Párraga, Irene Sánchez-Valls, Victoria del Pilar Ribón-Fuster, David Soto, Beatriz Herguedas
Published in: Nature Structural &amp; Molecular Biology, 2025, ISSN 1545-9993
Publisher: Nature Publishing Group
DOI: 10.1038/s41594-025-01666-7

Nucleocapsid assembly drives Ebola viral factory maturation and dispersion (opens in new window)

Author(s): Melina Vallbracht, Bianca S. Bodmer, Konstantin Fischer, Jana Makroczyova, Sophie L. Winter, Lisa Wendt, Moritz Wachsmuth-Melm, Thomas Hoenen, Petr Chlanda
Published in: Cell, 2024, ISSN 0092-8674
Publisher: Cell Press
DOI: 10.1016/j.cell.2024.11.024

The structure of the human 80S ribosome at 1.9 Å resolution reveals the molecular role of chemical modifications and ions in RNA (opens in new window)

Author(s): Holvec S, Barchet C, Lechner A, Fréchin L, De Silva SNT, Hazemann I, Wolff P, von Loeffelholz O, Klaholz BP
Published in: Nature Structural & Molecular Biology, 2024, ISSN 1545-9985
Publisher: Nature Portfolio
DOI: 10.1038/s41594-024-01274-x

Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection (opens in new window)

Author(s): Jalencas X, Berg H, Espeland LO, Sreeramulu S, Kinnen F, Richter C, Georgiou C, Yadrykhinsky V, Specker E, Jaudzems K, Mileti T, Harmel R, Gribbon P, Schwalbe H, Brenk R, Jirgensons A, Zaliani A, Mestres J.
Published in: RSC Medicinal Chemistry, 2024, ISSN 2632-8682
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3md00724c

AI revolutions in biology: The joys and perils of AlphaFold (opens in new window)

Author(s): Anastassis Perrakis, Titia K. Sixma
Published in: EMBO Reports, 2021, ISSN 1469-3178
Publisher: EMBO Press
DOI: 10.15252/embr.202154046

Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding (opens in new window)

Author(s): Hyjek-Składanowska M, Anderson BA, Mykhaylyk V, Orr C, Wagner A, Poznański JT, Skowronek K, Seth P, Nowotny M
Published in: Nucleic Acid Research, 2022, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkac774

Sample preparation strategies for efficient correlation of 3D SIM and soft X-ray tomography data at cryogenic temperatures (opens in new window)

Author(s): Chidinma A. Okolo, Ilias Kounatidis, Johannes Groen, Kamal L. Nahas, Stefan Balint, Thomas M. Fish, Mohamed A. Koronfel, Aitziber L. Cortajarena, Ian M. Dobbie, Eva Pereiro, Maria Harkiolaki
Published in: Nature Protocols, Issue 16/6, 2021, Page(s) 2851-2885, ISSN 1754-2189
Publisher: Nature Publishing Group
DOI: 10.1038/s41596-021-00522-4

Preparation and Cryo-FIB micromachining of <em>Saccharomyces cerevisiae</em> for Cryo-Electron Tomography (opens in new window)

Author(s): Jana Moravcová, Matyáš Pinkas, Radka Holbová, Jiří Nováček
Published in: Journal of Visualized Experiments, Issue 177, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62351

High-resolution structures of a thermophilic eukaryotic 80S ribosome reveal atomistic details of translocation (opens in new window)

Author(s): Miglė Kišonaitė, Klemens Wild, Karine Lapouge, Thomas Ruppert, Irmgard Sinning
Published in: Nature Communications, 2022, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-022-27967-9

Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARSCoV-2 (opens in new window)

Author(s): Di Micco S, Rahimova R, Sala M,Scala MC, Vivenzio G, Musella S, Andrei G, Remans K, Mammri L, Snoeck R, Bifulco G, Di Matteo F, Vestuto V, Campiglia P, Márquez JA, Fasano A.
Published in: European Journal of Medicinal Chemistry, Issue 02235234, 2022, ISSN 0223-5234
Publisher: Elsevier BV
DOI: 10.1016/j.ejmech.2022.114857

The translating bacterial ribosome at 1.55 Å resolution generated by cryo-EM imaging services (opens in new window)

Author(s): Fromm SA, O'Connor KM, Purdy M, Bhatt PR, Loughran G, Atkins JF, Jomaa A, Mattei S.
Published in: Nature communications, 2023, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-023-36742-3

A multi-scale numerical approach to study monoclonal antibodies in solution (opens in new window)

Author(s): Polimeni M, Zaccarelli E, Gulotta A, Lund M, Stradner A, Schurtenberger P
Published in: APL Bioengineering, 2024, ISSN 2473-2877
Publisher: American Institute of Physics
DOI: 10.1063/5.0186642

Estimating conformational landscapes from Cryo-EM particles by 3D Zernike polynomials (opens in new window)

Author(s): D. Herreros, R. R. Lederman, J. M. Krieger, A. Jiménez-Moreno, M. Martínez, D. Myška, D. Strelak, J. Filipovic, C. O. S. Sorzano, J. M. Carazo
Published in: Nature Communications, Issue 14, 2023, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-023-35791-y

Integration of NMR Spectroscopy in an Analytical Workflow to Evaluate the Effects of Oxidative Stress on Abituzumab: Beyond the Fingerprint of mAbs (opens in new window)

Author(s): Cerofolini L, Ravera E, Fischer C, Trovato A, Sacco F, Palinsky W, Angiuoni G, Fragai M, Baroni F.
Published in: Analytical Chemistry, 2023, ISSN 1520-6882
Publisher: ACS Publications
DOI: 10.1021/acs.analchem.3c00317

The macromolecular crystallography beamlines of the Helmholtz-Zentrum Berlin at the BESSY II storage ring: history, current status and future directions (opens in new window)

Author(s): Uwe Mueller, Tatjana Barthel, Laila S. Benz, Volodymyr Bon, Thomas Crosskey, Camilla Genter Dieguez, Ronald Förster, Christine Gless, Thomas Hauß, Udo Heinemann, Michael Hellmig, David James, Frank Lennartz, Melanie Oelker, Ruslan Ovsyannikov, Parinita Singh, Markus C. Wahl, Gert Weber, Manfred S. Weiss
Published in: Journal of Synchrotron Radiation, Issue 32, 2025, ISSN 1600-5775
Publisher: IUCr Journals
DOI: 10.1107/s1600577525001110

NMR-based Fragment Screening in a Minimum Sample but Maximum Automation Mode (opens in new window)

Author(s): Hannes Berg, M. A. Wirtz Martin, A. Niesteruk, C. Richter, S. Sreeramulu, H. Schwalbe
Published in: Journal of Visualized Experiments, Issue 172, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62262

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery (opens in new window)

Author(s): Misbha Ud Din Ahmad, Alexander Fish, Jeroen Molenaar, Sridhar Sreeramulu, Christian Richter, Nadide Altincekic, Harald Schwalbe, Hans Wienk, Anastassis Perrakis
Published in: Journal of Visualized Experiments, Issue 171, 2021, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/62469

Higher resolution in cryo-EM by the combination of macromolecular prior knowledge and image-processing tools (opens in new window)

Author(s): Ramirez-Aportela E, Carazo JM, Sorzano COS
Published in: IUCrJ, 2022, ISSN 2052-2525
Publisher: IUCr
DOI: 10.1107/s2052252522006959

Structural basis of CDNF interaction with the UPR regulator GRP78 (opens in new window)

Author(s): Melissa A. Graewert, Maria Volkova, Klara Jonasson, Juha A. E. Määttä, Tobias Gräwert, Samara Mamidi, Natalia Kulesskaya, Johan Evenäs, Richard E. Johnsson, Dmitri Svergun, Arnab Bhattacharjee, Henri J. Huttunen
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-52478-0

Rational Crystal Contact Engineering for Programmable Self-Assembled Protein Architectures (opens in new window)

Author(s): Mantas Liutkus, Adriana Rojas, Aitziber Cortajarena
Published in: ChemRxiv, 2025, ISSN 2573-2293
Publisher: American Chemical Society (ACS)
DOI: 10.26434/chemrxiv-2025-tnk5w

Controlled pH Alteration Enables Guanine Accumulation and Drives Crystallization within Iridosomes (opens in new window)

Author(s): Zohar Eyal, Anna Gorelick-Ashkenazi, Rachael Deis, Yuval Barzilay, Yonatan Broder, Asher Perry Kellum, Neta Varsano, Michal Hartstein, Andrea Sorrentino, Ifat Kaplan-Ashiri, Katya Rechav, Rebecca Metzler, Lothar Houben, Leeor Kronik, Peter Rez, Dvir Gur
Published in: BioRxiv, 2024, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.07.20.604036

TIR domains produce histidine-ADPR conjugates as immune signaling molecules in bacteria (opens in new window)

Author(s): Sabonis D, Avraham C, Lu A, Herbst E, Silanskas A, Leavitt A, Yirmiya E, Zaremba M, Amitai G, Kranzusch PJ, Sorek R, Tamulaitiene G.
Published in: bioRxiv, 2024, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.01.03.573942

Macrophage activation of cGAS and TRIM5 distinguish pandemic and non-pandemic HIV (opens in new window)

Author(s): Lorena Zuliani Alvarez, Morten L. Govasli, Jane Rasaiyaah, Chris Monit, Stephen O. Perry, Rebecca P. Sumner, Simon McAlpine-Scott, Claire Dickson, K. M. Rifat Faysal, Laura Hilditch, Richard J. Miles, Frederic Bibollet-Ruche, Beatrice H. Hahn, Till Boecking, Nikos Pinotsis, Leo C. James, David A. Jacques, Greg J. Towers
Published in: bioRxiv, 2022, ISSN 2692-8205
Publisher: bioRxiv
DOI: 10.1101/2022.01.21.477263

An original potentiating mechanism revealed by the cryoEM structures of the human α7 nicotinic receptor in complex with nanobodies (opens in new window)

Author(s): Prevost MS, Barilone N, Dejean De La Batie G, Pons S, Ayme G, England P, Gielen M, Bontems F, Pehau-Arnaudet G, Maskos U, Lafaye P, Corringer P-J.
Published in: bioRxiv, 2023, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.01.03.522595

Phase distortion-free pNMR spectra

Author(s): Enrico Ravera
Published in: arXiv.org, 2021, ISSN 2331-8422
Publisher: arXiv.org / Cornell University

Organisation of axial regions of isolated mitotic chromosomes visualised by cryo correlative light and electron tomography (opens in new window)

Author(s): Gurudatt Patra, Mohamad Harastani, Kumiko Samejima, Lucy Remnant, Nathalie Troffer-Charlier, Corrine Crucifix, Alexandre Durand, Nils Marechal, Yves Lutz, Anna M. Steyer, Zhengyi Yang, Wim J. H. Hagen, William C. Earnshaw, Mikhail Eltsov
Published in: BioRxiv, 2025, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.02.06.636497

Structural mechanisms of autoinhibition and substrate recognition by the ubiquitin ligase HACE1 (opens in new window)

Author(s): Düring J, Wolter M, Toplak J, Torres C, Dybkov O, Fokkens TJ, Urlaub H, Steinchen W, Dienemann C, Lorenz S.
Published in: Research Square, 2023, ISSN 2693-5015
Publisher: Springer Nature
DOI: 10.21203/rs.3.rs-3220888/v1

Scipion-EM-ProDy: A Graphical Interface for the ProDy Python Package within the Scipion Workflow Engine enabling Integration of Databases, Simulations and Cryo-Electron Microscopy Image Processing (opens in new window)

Author(s): Krieger JM, Sorzano COS, Carazo JM.
Published in: Preprints 2023, 2023080828, 2023, ISSN 2310-287X
Publisher: Preprints
DOI: 10.20944/preprints202308.0828.v1

Improved detection of magnetic interactions in proteins based on long-lived coherences (opens in new window)

Author(s): Sadet A, Ianc O, Teleanu F, Ciumeică A, Lupulescu A, Vasos P.
Published in: Research Square, 2024, ISSN 2693-5015
Publisher: Springer Nature
DOI: 10.21203/rs.3.rs-3694602/v1

A Modular Platform for Streamlining Automated Cryo-FIB Workflows (opens in new window)

Author(s): Klumpe S, Fung HKH, Goetz SK, Zagoriy I, Hampoetz B, Zhang X, Erdmann PS, Baumbach J, Müller CW, Beck M, Plitzko JM, Mahamid J.
Published in: bioRxiv, 2021, ISSN 0362-4331
Publisher: New York Times Company
DOI: 10.1101/2021.05.19.444745

Structural basis for activation and mechanism of the bacterial hexameric motors RadA and ComM in DNA branch migration during homologous recombination (opens in new window)

Author(s): Talachia Rosa L, Vernhes E, Soulet AL, Polard P, Fronzes R.
Published in: BioRxiv, 2024, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.02.15.580443

Iron Oxide Nanoparticles as Positive T1 Contrast Agents for Low-Field Magnetic Resonance Imaging at 64 mT (opens in new window)

Author(s): Oberdick S, Jordanova K, Lundstrom J, Parigi G, Poorman M, Poorman G, Keenan K.
Published in: Research Square, 2023, ISSN 2693-5015
Publisher: Research Square Company
DOI: 10.21203/rs.3.rs-2485292/v1

EasyGrid: A versatile platform for automated cryo-EM sample preparation and quality control (opens in new window)

Author(s): Gemin O, Armijo V, Hons M, Bissardon C, Linares R, Bowler MW, Wolff G, Kovalev K, Babenko A, Salo VT, Schneider S, Rossi C, Lecomte L, Deckers T, Lauzier K, Janocha R, Felisaz F, Sinoir J, Galej WP, Mahamid J, Muller CW, Eustermann S, Mattei S, Cipriani F, Papp G.
Published in: bioRxiv, 2024, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.01.18.576170

Inducible protein expression in stably transfected cells paves the way toward in-cell NMR studies in defined physiological states and 3D tissue cultures (opens in new window)

Author(s): Rynes J, Istvankova E, Krafcikova M, Luchinat E, Barbieri L, Banci L, Kamarytova K, Loja T, Fafilek B, Rico-Llanos G, Krejci P, Macurek L, Foldynova-Trantirkova S, Trantirek L.
Published in: ChemRxiv, 2024, ISSN 2573-2293
Publisher: Cambridge Unversity Press
DOI: 10.26434/chemrxiv-2024-jqd66-v2

Structure of the dopamine D3 receptor bound to a bitopic agonist reveals a new specificity site in an expanded allosteric pocket (opens in new window)

Author(s): Arroyo-Urea S, Nazarova AL, Carrión-Antolí A, Bonifazi A, Battiti FO, Homing Lam J, Hauck Newman A, Katritch V, García-Nafría J.
Published in: Research Square, 2023, ISSN 2693-5015
Publisher: Springer Nature
DOI: 10.21203/rs.3.rs-3433207/v1

From isolated polyelectrolytes to star-like assemblies: The role of sequence heterogeneity on the statistical structure of the intrinsically disordered Neurofilament-low tail domain

Author(s): Kravikass M, Koren G, Saleh OA, Beck R.
Published in: arXiv, 2023, ISSN 2331-8422
Publisher: Cornell University

Continuum architecture dynamics of vesicle tethering in exocytosis (opens in new window)

Author(s): Marta Puig-Tintó, Sebastian Ortiz, Sasha Meek, Raffaele Coray, Altair C. Hernández, Anna Castellet, Eric Kramer, Laura I. Betancur, Philipp Hoess, Markus Mund, Mercè Izquierdo-Serra, Baldo Oliva, Alex de Marco, Jonas Ries, Daniel Castaño-Díez, Carlo Manzo, Oriol Gallego
Published in: BioRxiv, 2025, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.02.05.635468

DNA i-motif levels are overwhelmingly depleted in living human cells: insights from in-cell NMR. (opens in new window)

Author(s): Trantirek L, Viskova P, Istvankova E, Rynes J, Dzatko S, Loja T, Lenarcic Zivkovic M, Rigo R, El-Khoury R, Serano I, Damha M, Gonzalez C, Mergny JL, Foldynova-Trantirkova S.
Published in: Research Square, 2023, ISSN 2693-5015
Publisher: Springer Nature
DOI: 10.21203/rs.3.rs-3734993/v1

Improvements on marker-free images alignment for electron tomography (opens in new window)

Author(s): Sorzano COS, De Isidro-Gomez F, Fernandez-Gimenez E, Herreros D, Marco S, Carazo JM, Messaoudi C.
Published in: BioRxiv, Issue May 24 2020, 2020, ISSN 0362-4331
Publisher: New York Times Company
DOI: 10.1101/2020.05.22.110445

Multitarget Virtual Screening for Drug Repurposing in COVID19

Author(s): CO Sorzano, E Crisman, JM Carazo, R leon
Published in: ChemRxiv, Issue July 17 2020, 2020, ISSN 2573-2293
Publisher: American Chemical Society (ACS), Chinese Chemical Society, Chemical Society of Japan, German Chemical Society (GDCh) and the Royal Society of Chemistry

The BAF A12T mutation reduces BAF affinity to lamin A/C, preventing its recruitment to nuclear ruptures in Nestor Guillermo Progeria Syndrome cells. (opens in new window)

Author(s): Janssen AFJ, Marcelot A, Breusegem SY, Legrand P, Zinn-Justin S, Larrieu D
Published in: bioRxiv, 2022, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2022.02.25.481780

Site-Directed Spin Labeling with the Bis-Nitroxide AsymPol Enables Targeted DNP MAS NMR of RNA (opens in new window)

Author(s): Rubin Dasgupta, Christian Steinmetzger, Ancy T. Wilson, Satyaki Chatterjee, Gunnar W. Reginsson, Snorri Th. Sigurdsson, Katja Petzold
Published in: ChemRXiv, 2025, ISSN 2573-2293
Publisher: Cambridge University Press
DOI: 10.26434/chemrxiv-2025-1tkv0

Annulate Lamellae biogenesis is essential for nuclear pore function (opens in new window)

Author(s): Izabela Sumara, Junyan Lin, Arantxa Agote-Arán, Yongrong Liao, Rafael Schoch, Paolo Ronchi, Victor Cochard, Rui Zhu, Charlotte Kleiss, Marc Ruff, Guillaume Chevreux, Yannick Schwab, Bruno Klaholz
Published in: Research Square, 2024, ISSN 2693-5015
Publisher: Springer Science and Business Media LLC
DOI: 10.21203/rs.3.rs-5104543/v1

Intramolecular Structural Heterogeneity altered by Long-range Contacts in an Intrinsically Disordered Protein (opens in new window)

Author(s): Koren G, Meir S, Holschuh L, Mertens HDT, Ehm T, Yahalom N, Golombek A, Schwartz T, Svergun DI, Saleh OA, Dzubiella J, Beck R.
Published in: arXiv e-prints, 2022, ISSN 2331-8422
Publisher: Cornell University
DOI: 10.48550/arxiv.2212.01894

Plasticity of the binding pocket in peptide transporters underpins 2 promiscuous substrate recognition (opens in new window)

Author(s): Kotov V, Killer M, Jungnickel KEJ, Lei J, Finocchio G, Steinke J, Bartels K, Strauss J, Dupeux F, Humm A-S, Cornaciu I, Márquez JA, Pardon E, Steyaert J, Löw C.
Published in: bioRxiv, 2023, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.02.14.528348

Production and Preparation of Isotopically Labeled Human Membrane Proteins in Pichia pastoris for Fast-MAS-NMR Analyses (opens in new window)

Author(s): Barret L, Schubeis T, Kugler V, Guyot L, Pintacuda G, Wagner R.
Published in: Methods Mol Biol. 2022, Issue 2507, 2022, Page(s) 201-221, ISBN 978-1-0716-2367-1
Publisher: Springer
DOI: 10.1007/978-1-0716-2368-8_11

Cryo-focused ion beam lamella preparation protocol for in situ Structural Biology (opens in new window)

Author(s): Jana Moravcová, Radka Dopitová, Matyáš Pinkas, Jiří Nováček
Published in: Methods in Molecular Biology, Issue Vol. 2305, Ch. 15, 2021
Publisher: Springer
DOI: 10.1007/978-1-0716-1406-8

Cryo-Focused Ion Beam Lamella Preparation Protocol for in Situ Structural Biology (opens in new window)

Author(s): Moravcova J, Dopitova R, Pinkas M, Novacek J
Published in: Methods. Methods Mol Biol. 2021; 2305, 2021, Page(s) 301-322, ISBN 978-1-0716-1405-1
Publisher: Springer
DOI: 10.1007/978-1-0716-1406-8_15

Image Processing in Cryo-Electron Microscopy of Single Particles: The Power of Combining Methods (opens in new window)

Author(s): Sorzano COS, Jiménez-Moreno A, Maluenda D, Ramírez-Aportela E, Martínez M, Cuervo A, Melero R, Conesa JJ, Sánchez-García R, Strelak D, Filipovic J, Fernández-Giménez E, de Isidro-Gómez F, Herreros D, Conesa P, Del Caño L, Fonseca Y, de la Morena JJ, Macías JR, Losana P, Marabini R, Carazo JM.
Published in: Methods. Methods Mol Biol. 2021; 2305, 2021, Page(s) 257-289, ISBN 978-1-0716-1405-1
Publisher: Springer
DOI: 10.1007/978-1-0716-1406-8_13

Cryogenic Preparations of Biological Specimens for Cryo-Electron Tomography (opens in new window)

Author(s): D’Imprima E, Fung HKH, Zagoriy I, Mahamid J
Published in: Cryo-Electron Tomography - Structural Biology in situ, 2024, Page(s) 85-114, ISBN 978-3-031-51171-4
Publisher: Springer Cham
DOI: 10.1007/978-3-031-51171-4_3

Mixed-valence compounds as polarizing agents for Overhauser dynamic nuclear polarization in solids

Author(s): Andrei Gurinov, Benedikt Sieland, Andrei Kuzhelev, Hossam Elgabarty, Thomas D. Kuhne, Thomas Prisner, Jan Paradies, Marc Baldus, Konstantin L. Ivanov, and Svetlana Pylaeva
Published in: Condensed Matter - arXiv.org, 2021
Publisher: Cornell University

Combining scattering experiments and colloid theory to characterize charge effects in concentrated antibody solutions

Author(s): Gulotta A, Polimeni M, Lenton S, Starr CG, Kingsbury JS, Stradner A, Zaccarelli E, Schurtenberger P.
Published in: arXiv, 2023, ISSN 2331-8422
Publisher: arXiv

Structural analysis of human ex vivo amyloid fibrils from systemic AA amyloidosis

Author(s): Banerjee S
Published in: 2023
Publisher: Banerjee S

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