EUbOPEN: Enabling and Unlocking biology in the OPEN

CORDIS fournit des liens vers les livrables publics et les publications des projets HORIZON.

Les liens vers les livrables et les publications des projets du 7e PC, ainsi que les liens vers certains types de résultats spécifiques tels que les jeux de données et les logiciels, sont récupérés dynamiquement sur OpenAIRE .

Livrables

300 proteins purified in year 1

1,500 proteins purified at a rate of approximately 300 per year (reported at M12, M36, M60). Expression constructs and proteins will be produced by UOXF, GUF, KI, UNIVDUN, LUMC, with contributions from EFPIA and Associated Partners where applicable.

Applied to ≥2 new chemical series in year 3

First version of platform for automated compound synthesis applied to 2 new scaffoldsyear M36 M60

Additional ten PCAs established and/or optimised (20 in total)

Ten PCAs established and/or optimised (20 in total, 10 by month 24 and additional 10 by month 48).

Family wide screening platform for kinases using NanoBRET or ABPP technology

Family wide screening platform for kinases and one new family using NanoBRET or ABPP technology M24 M60

40 CRISPR knockout cell lines in year 1

40 CRISPR knockout cell lines per year (total 160) (M12, M36, M48).

First set of community engagement events or symposium held

Community engagement events and symposia held

Deposit intermediate set of data in sustainable resources
Evaluation of Raman assays and establishment of protocols in cell culture and patient-derived tissues

Evaluation of Raman assays and establishment of protocols in cell culture and patient-derived tissues.

Data for initial CG set released

Data for each Chemogenomic set release in EUbOPEN gateway Zenodo

50 targets enabled with in vitro assays and 30 targets with cellular assays

D5.1 250 targets enabled with assays for chemical probe discovery and optimisation at a rate of approximately 50 per year and 150 targets enabled with an in-cell target engagement assay at a rate of about 30 per year (M12, M36, M60).

EUbOPEN database gateway development

EUbOPEN database gateway specification and further development

Acquisition of > 500 compounds for CGL covering >250 targets

Acquisition of CG compounds (500 compounds/year) from commercial sources, academic partners and EFPIA.

EUbOPEN database gateway specification

EUbOPEN database gateway specification and further development.

Guiding principles for global network with similar organisations

Guiding principles for global network with similar organisations.

Five aggregated, anonymized and quality assured screening data sets released to the public

Five aggregated anonymized and quality assured screening data sets released to the public on annual basis through project website and other dissemination channels

20 recombinant antibodies or binders in year 2 and 3

50 recombinant antibodies or other binders at a rate of about 10 per year reported at M12 M36 M60 Binders will be generated by KI and ReSOLUTE with donations from Pharma partners

100 protein structures in year 1

100 protein structures in year 1.

Standardized chip design and processing established

Standardized chip design and processing established.

20 CP in year 1

20 EUbOPEN-generated CPs in year 1, including EFPIA contributions and jointly generated CPs as well as contributions from other scientists outside EUbOPEN.

First version of platform for automated compound synthesis

First version of platform for automated compound synthesis M24

Additional five aggregated, anonymized and quality assured screening data sets released to the public

Five aggregated anonymized and quality assured screening data sets released to the public on annual basis through project website and other dissemination channels

First EUbOPEN website review and development

EUbOPEN website development with regular reviews and updates

Update on web-based internal database system development

Webbased internal database system implementation and development

Intermediate release of curated CG compound profiling data

Release of curated CGL profiling data

First review of data ontology

Data ontology defined by working group and regularly reviewed

Acquisition of > 2,000 compounds for CGL covering >750 new targets

Acquisition of CG compounds (500 compounds/year) from commercial sources, academic partners and EFPIA.

Web-based internal database system initial implementation

Web-based internal database system implementation and development.

LiP-MS or BioID datasets of ≥10 probe-cell interactions

LiPMS datasets of 5 probecell interactionsyear M36 M60

Agreed quality control criteria approved by JMC

Agreed quality control criteria approved by JMC.

Ten PCAs established and/or optimised (20 in total)

Ten PCAs established andor optimised 20 in total 10 by month 24 and additional 10 by month 48

>1500 novel CG compounds sourced

At least 1500 CG compounds sourced or synthesised .

600 proteins purified in year 2 and 3

1500 proteins purified at a rate of approximately 300 per year reported at M12 M36 M60 Expression constructs and proteins will be produced by UOXF GUF KI UNIVDUN LUMC with contributions from EFPIA and Associated Partners where applicable

Data ontology defined by working group

Data ontology defined by working group.

A total of fifteen aggregated, anonymized and quality assured screening data sets released to the public

Five aggregated, anonymized and quality assured screening data sets released to the public on annual basis through project website and other dissemination channels.

40 CP in year 2 and 3

40 EUbOPENgenerated CPs in year 2 and 3 to a total of 60 CPs The CPs will include EFPIA contributions and jointly generated CPs as well as contributions from other scientists outside EUbOPEN

10 recombinant antibodies or binders in year 1

50 recombinant antibodies or other binders at a rate of about 10 per year (reported at M12, M36, M60). Binders will be generated by KI and ReSOLUTE with donations from Pharma partners.

Data deposition of genome/proteome wide analysis for >60 CG compounds

Genomeproteome wide analysis of subset of CG compounds 150 in total and deposition of data in sustainable resources M24 M60

100 targets enabled with in vitro assays and 60 targets with cellular assays in year 2 and 3

D51 250 targets enabled with assays for chemical probe discovery and optimisation at a rate of approximately 50 per year and 150 targets enabled with an incell target engagement assay at a rate of about 30 per year M12 M36 M60

Steady state sample access (1-2 per week) from IBD and CRC

Steady state sample access (1-2 per week) from IBD and CRC.

Establish data publication standard and database
200 protein structures in years 2 and 3

200 protein structures in year 2 and 3

Assembly of expanded reaction toolkit and fragment set for plate-based chemistry

Assembly of expanded reaction toolkit and fragment set for platebased chemistry

New protein family sentinel selectivity panel

New protein family sentinel selectivity panel for three families

Initial protocols made openly available through portal and public databases

Protocols made openly available through portal and public databases

Partnerships with >25 international partners

Partnerships with 25 international organisations with efforts in screening assay development patientderived cell assays chemical screening chemical probe generation and compound profiling established

80 CRISPR knockout cell lines in years 2 and 3

40 CRISPR knockout cell lines per year total 160 M12 M36 M48

Online compound ordering system for the public

Online compound ordering system for the public operational.

EUbOPEN website implementation

EUbOPEN website development with regular reviews and updates (M3, M36, M60).

Define criteria for compounds of CGL

The criteria underlying the list of targets to be covered by the CGL will be defined by the JMC and TPN (M3), and surveyed in regular meetings to govern the activities of Pillar 1.

Define target list of 1,000 targets

Defined target list of 1,000 proteins covered by the CGL.

Revised target list

The target list will be revised during the project.

Distribution of additionally approved CG sets and CP

Additionally approved CGs and CPs will be assembled and released with appropriate instructions to the public.

Extended FRAGALYSIS cloud infrastructure for in silico compound design

Extended FRAGALYSIS cloud infrastructure for in silico compound design Comprehensive compound prioritisation based on commercially available compounds

Extended FRAGALYSIS cloud infrastructure for de novo compound design

FRAGALYSIS de novo compound design interface compatible with platforms for automated compound synthesis.

Distribution of approved CG sets and CP

Newly approved CGs and CPs will be assembled and released with appropriate instructions to the public.

Publications

Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family

Auteurs: Chaikuad A, Zhubi R, Tredup C, Knapp S.
Publié dans: IUCr, 2022, ISSN 2052-2525
Éditeur: IUCr Journals
DOI: 10.1107/s2052252522008582

A guide to selecting high-performing antibodies for STING1 (Uniprot ID: Q86WV6) for use in western blot, immunoprecipitation, and immunofluorescence

Auteurs: Vera Ruíz Moleón, Charles Alende, Maryam Fotouhi, Riham Ayoubi, Kathleen Southern, Carl Laflamme, null null, null null
Publié dans: F1000Research, Numéro 13, 2025, Page(s) 1049, ISSN 2046-1402
Éditeur: F1000 Research Ltd.
DOI: 10.12688/f1000research.155929.2

Technologies for Direct Detection of Covalent Protein–Drug Adducts

Auteurs: Elma Mons, Robbert Q. Kim, Monique P. C. Mulder
Publié dans: Pharmaceuticals, 2023, ISSN 1424-8247
Éditeur: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ph16040547

DIP-MS: ultra-deep interaction proteomics for the deconvolution of protein complexes

Auteurs: Frommelt F, Fossati A, Uliana F, Wendt F, Xue P, Heusel M, Wollscheid B, Aebersold R, Ciuffa R, Gstaiger M.
Publié dans: Nat Methods, 2024, ISSN 1548-7091
Éditeur: Nature Publishing Group
DOI: 10.1038/s41592-024-02211-y

The Pan-Canadian Chemical Library: A Mechanism to Open Academic Chemistry to High-Throughput Virtual Screening

Auteurs: Corentin Bedart, Grace Shimokura, Frederick G. West, Tabitha E. Wood, Robert A. Batey, John J. Irwin, Matthieu Schapira
Publié dans: Scientific Data, Numéro 11, 2024, ISSN 2052-4463
Éditeur: Springer Science and Business Media LLC
DOI: 10.1038/s41597-024-03443-5

Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile-Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.

Auteurs: Zhou J, Horton JR, Menna M, Fiorentino F, Ren R, Yu D, Hajian T, Vedadi M, Mazzoccanti G, Ciogli A, Weinhold E, HÃ¼ben M, Blumenthal RM, Zhang X, Mai A, Rotili D, Cheng X
Publié dans: J Med Chem, 2022, ISSN 0022-2623
Éditeur: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01789

Synthesis and functional screening of novel inhibitors targeting the HDAC6 zinc finger ubiquitin-binding domain

Auteurs: Silke Geurs, Eleni Staessens, Kato Bredael, Stefaan Borghgraef, Jordy De Ridder, Leentje Persoons, Steven De Jonghe, Dominique Schols, Mandeep K. Mann, Rachel J. Harding, Jorick Franceus, Tom Desmet, Kristof Van Hecke, Dorien Clarisse, Karolien De Bosscher, Matthias D'hooghe
Publié dans: European Journal of Medicinal Chemistry, Numéro 285, 2025, Page(s) 117208, ISSN 0223-5234
Éditeur: Elsevier BV
DOI: 10.1016/j.ejmech.2024.117208

Building ubiquitination machineries: E3 ligase multi-subunit assembly and substrate targeting by PROTACs and molecular glues

Auteurs: Sarath Ramachandran, Alessio Ciulli
Publié dans: Current Opinion in Structural Biology, Numéro 67, 2021, Page(s) 110-119, ISSN 0959-440X
Éditeur: Elsevier BV
DOI: 10.1016/j.sbi.2020.10.009

Quantitative Hydrogen–Deuterium Exchange Mass Spectrometry for Simultaneous Structural Characterization and Affinity Indexing of Single Target Drug Candidate Libraries

Auteurs: Esther Wolf, Oleksandra Herasymenko, Maria Kutera, Cristina Lento, Cheryl Arrowsmith, Suzanne Ackloo, Derek Wilson
Publié dans: Analytical Chemistry, Numéro 96, 2024, Page(s) 13015-13024, ISSN 0003-2700
Éditeur: American Chemical Society
DOI: 10.1021/acs.analchem.4c01001

Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.

Auteurs: Rohm, S., Berger, B. T., Schroder, M., Chatterjee, D., Mathea, S., Joerger, A. C., Pinkas, D. M., Bufton, J. C., Tjaden, A., Kovooru, L., Kudolo, M., Pohl, C., Bullock, A. N., Muller, S., Laufer, S. and Knapp, S
Publié dans: J Med Chem., 2021, ISSN 0022-2623
Éditeur: American Chemical Society
DOI: 10.1021/acs.jmedchem.1c00868

Serine phosphorylation facilitates protein degradation by the human mitochondrial ClpXP protease

Auteurs: Yue Feng, Monica M. Goncalves, Yulia Jitkova, Alexander F. A. Keszei, Yongran Yan, Chaitra Sarathy, Jonathan St-Germain, Tristan M. G. Kenney, Matthew Tcheng, Vincent Trudel, Ross S. Mancini, Rahul Upadhyay, Rose Hurren, Marcela Gronda, Matthew Schultz, Kaylen Soriano, Kaitlin Lees, Neil C. Pomroy, S. Quinn W. Currie, Gilbert G. Privé, Mark A. Reed, Andrei K. Yudin, Linda Z. Penn, Cheryl H. Arrow
Publié dans: Proceedings of the National Academy of Sciences, Numéro 122, 2025, ISSN 0027-8424
Éditeur: National Academy of Sciences
DOI: 10.1073/pnas.2422447122

Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes

Auteurs: Hanke T, Mathea S, Woortman J, Salah E, Berger BT, Tumber A, Kashima R, Hata A, Kuster B, Müller S, Knapp S. J Med Chem 2022.
Publié dans: Journal of Medicinal Chemistry, 2022, ISSN 0022-2623
Éditeur: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01106

Macrocycle-based PROTACs selectively degrade cyclophilin A and inhibit HIV-1 and HCV

Auteurs: Lydia S. Newton, Clara Gathmann, Sophie Ridewood, Robert J. Smith, Andre J. Wijaya, Thomas W. Hornsby, Kate L. Morling, Dara Annett, Riccardo Zenezini Chiozzi, Ann-Kathrin Reuschl, Morten L. Govasli, Ying Ying Tan, Lucy G. Thorne, Clare Jolly, Konstantinos Thalassinos, Alessio Ciulli, Greg J. Towers, David L. Selwood
Publié dans: Nature Communications, Numéro 16, 2025, ISSN 2041-1723
Éditeur: Nature Publishing Group
DOI: 10.1038/s41467-025-56317-8

Mechanism and evolutionary origins of alanine-tail C-degron recognition by E3 ligases Pirh2 and CRL2-KLHDC10.

Auteurs: Patil PR, Burroughs AM, Misra M, Cerullo F, Costas-Insua C, Hung HC, Dikic I, Aravind L, Joazeiro CAP
Publié dans: Cell Rep, 2023, ISSN 2211-1247
Éditeur: Cell Press
DOI: 10.1016/j.celrep.2023.113100

Big data and benchmarking initiatives to bridge the gap from AlphaFold to drug design

Auteurs: Matthieu Schapira, Levon Halabelian, Cheryl H. Arrowsmith, Rachel J. Harding
Publié dans: Nature Chemical Biology, Numéro 20, 2024, Page(s) 937-940, ISSN 1552-4450
Éditeur: Nature Publishing Group
DOI: 10.1038/s41589-024-01570-z

Breaking free from the crystal lattice: Structural biology in solution to study protein degraders

Auteurs: Kevin Haubrich; Valentina A. Spiteri; William Farnaby; Frank Sobott; Alessio Ciulli
Publié dans: Crossref, Numéro 2, 2023, ISSN 0346-251X
Éditeur: Pergamon Press Ltd.
DOI: 10.1016/j.sbi.2023.102534

Ubiquitin ligases: guardians of mammalian development

Auteurs: Cruz Walma, D. A., Chen, Z., Bullock, A. N. and Yamada, K. M
Publié dans: Nat Rev Mol Cell Biol, 2022, ISSN 1471-0072
Éditeur: Nature Publishing Group
DOI: 10.1038/s41580-021-00448-5

Hepatic miR-144 Drives Fumarase Activity Preventing NRF2 Activation During Obesity

Auteurs: Azzimato, V., Chen, P., Barreby, E., Morgantini, C., Levi, L., Vankova, A., ... & Aouadi, M.
Publié dans: Gastroenterology, 2021, ISSN 0016-5085
Éditeur: W. B. Saunders Co., Ltd.
DOI: 10.1053/j.gastro.2021.08.030

Revisiting huntingtin activity and localization signals in the context of protein structure

Auteurs: Ray Truant, Rachel J Harding, Kaitlyn Neuman, Tamara Maiuri
Publié dans: Journal of Huntington's Disease, Numéro 13, 2025, Page(s) 419-430, ISSN 1879-6397
Éditeur: IOS Press
DOI: 10.1177/18796397241295303

Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.

Auteurs: Fraser BJ, Beldar S, Seitova A, Hutchinson A, Mannar D, Li Y, Kwon D, Tan R, Wilson RP, Leopold K, Subramaniam S, Halabelian L, Arrowsmith CH, BÃ©nard F
Publié dans: Nat Chem Biol, 2022, ISSN 1552-4450
Éditeur: Nature Publishing Group
DOI: 10.1038/s41589-022-01059-7

A data science roadmap for open science organizations engaged in early-stage drug discovery

Auteurs: Kristina Edfeldt, Aled M. Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G. Hulcoop, Andrew R. Leach, Brian D. Marsden, Amelie Menge, Leonie Misquitta, Susanne Müller, Dafydd R. Owen, Kristof T. Schütt, Nicholas Skelton, Andreas Steffen, Alexander Tropsha, Erik Vernet, Yanli Wang, James Wellnitz, Timothy M. Willson, Djork-Arné Clevert, Benjamin Haibe-Kains, Lovisa Holmberg Schia
Publié dans: Nature Communications, Numéro 15, 2024, ISSN 2041-1723
Éditeur: Nature Publishing Group
DOI: 10.1038/s41467-024-49777-x

Benchmarking Methods for PROTAC Ternary Complex Structure Prediction

Auteurs: Evianne Rovers, Matthieu Schapira
Publié dans: Journal of Chemical Information and Modeling, Numéro 64, 2024, Page(s) 6162-6173, ISSN 1549-9596
Éditeur: American Chemical Society
DOI: 10.1021/acs.jcim.4c00426

The ethnogeographic variability of genetic factors underlying G6PD deficiency

Auteurs: Koromina, M., Pandi, M. T., van der Spek, P. J., Patrinos, G. P., & Lauschke, V. M.
Publié dans: Pharmacological Research, 2021, ISSN 1043-6618
Éditeur: Academic Press
DOI: 10.1016/j.phrs.2021.105904

Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.

Auteurs: Michel M, Benítez-Buelga C, Calvo PA, Hanna BMF, Mortusewicz O, Masuyer G, Davies J, Wallner O, Sanjiv K, Albers JJ, Castañeda-Zegarra S, Jemth AS, Visnes T, Sastre-Perona A, Danda AN, Homan EJ, Marimuthu K, Zhenjun Z, Chi CN, Sarno A, Wiita E, von Nicolai C, Komor AJ, Rajagopal V, Müller S, Hank EC, Varga M, Scaletti ER, Pandey M, Karsten S, Haslene-Hox H, Loevenich S, Marttila P, Rasti A, Mam
Publié dans: Science, 2023, ISSN 0036-8075
Éditeur: American Association for the Advancement of Science
DOI: 10.1126/science.abf8980

Population-scale predictions of DPD and TPMT phenotypes using a quantitative pharmacogene-specific ensemble classifier

Auteurs: Yitian Zhou, Carolina Dagli Hernandez, Volker M. Lauschke
Publié dans: British Journal of Cancer, Numéro 123/12, 2020, Page(s) 1782-1789, ISSN 0007-0920
Éditeur: Nature Publishing Group
DOI: 10.1038/s41416-020-01084-0

ATPase activity profiling of three human DExD/H-box RNA helicases

Auteurs: Fengling Li, U Hang Chan, Julia Garcia Perez, Hong Zeng, Irene Chau, Yanjun Li, Almagul Seitova, Levon Halabelian
Publié dans: SLAS Discovery, Numéro 32, 2025, Page(s) 100229, ISSN 2472-5552
Éditeur: Elsevier BV
DOI: 10.1016/j.slasd.2025.100229

A guide to selecting high-performing antibodies for Huntingtin (UniProt ID: P42858) for use in western blot, immunoprecipitation, and immunofluorescence

Auteurs: Rebeka Fanti, Riham Ayoubi, Charles Alende, Maryam Fotouhi, Sara González Bolívar, Renu Chandrasekaran, Kathleen Southern, Aled M. Edwards, Rachel J. Harding, Carl Laflamme, null null, null null
Publié dans: F1000Research, Numéro 13, 2025, Page(s) 922, ISSN 2046-1402
Éditeur: F1000 Research Ltd.
DOI: 10.12688/f1000research.153670.2

Harnessing CD3 diversity to optimize CAR T cells.

Auteurs: Velasco Cárdenas RM, Brandl SM, Meléndez AV, Schlaak AE, Buschky A, Peters T, Beier F, Serrels B, Taromi S, Raute K, Hauri S, Gstaiger M, Lassmann S, Huppa JB, Boerries M, Andrieux G, Bengsch B, Schamel WW, Minguet S.
Publié dans: Nat Immunol., 2024, ISSN 1529-2908
Éditeur: Nature Publishing Group
DOI: 10.1038/s41590-023-01658-z

Histone lysine methacrylation is a dynamic post-translational modification regulated by HAT1 and SIRT2

Auteurs: Delaney K, Tan M, Zhu Z, Gao J, Dai L, Kim S, Ding J, He M, Halabelian L, Yang L, Nagarajan P, Parthun MR, Lee S, Khochbin S, Zheng YG, Zhao Y
Publié dans: Cell Discov, 2022, ISSN 2056-5968
Éditeur: Nature Publishing Group
DOI: 10.1038/s41421-021-00344-4

PRMT inhibition induces a viral mimicry response in triple-negative breast cancer.

Auteurs: Wu Q, Nie DY, Ba-Alawi W, Ji Y, Zhang Z, Cruickshank J, Haight J, Ciamponi FE, Chen J, Duan S, Shen Y, Liu J, Marhon SA, Mehdipour P, Szewczyk MM, Dogan-Artun N, Chen W, Zhang LX, Deblois G, Prinos P, Massirer KB, Barsyte-Lovejoy D, Jin J, De Carvalho DD, Haibe-Kains B, Wang X, Cescon DW, Lupien M, Arrowsmith CH
Publié dans: Nature Chemical Biology, 2022, ISSN 1552-4450
Éditeur: Nature Publishing Group
DOI: 10.1038/s41589-022-01024-4

Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity

Auteurs: Mark F. Mabanglo, Brian Wilson, Mahmoud Noureldin, Serah W. Kimani, Ahmed Mamai, Chiara Krausser, Héctor González-Álvarez, Smriti Srivastava, Mohammed Mohammed, Laurent Hoffer, Manuel Chan, Jamie Avrumutsoae, Alice Shi Ming Li, Taraneh Hajian, Sarah Tucker, Stuart Green, Magdalena Szewczyk, Dalia Barsyte-Lovejoy, Vijayaratnam Santhakumar, Suzanne Ackloo, Peter Loppnau, Yanjun Li, Almagul Seito
Publié dans: Nature Communications, Numéro 15, 2024, ISSN 2041-1723
Éditeur: Nature Publishing Group
DOI: 10.1038/s41467-024-54500-x

Proteomic workflows for deep phenotypic profiling of 3D organotypic liver models

Auteurs: Stefania Koutsilieri, Evgeniya Mickols, Ákos Végvári, Volker M Lauschke
Publié dans: Biotechnol J, 2023, ISSN 1860-6768
Éditeur: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/biot.202300684

High-content live-cell multiplex screen for chemogenomic compound annotation based on nuclear morphology

Auteurs: Tjaden A, Giessmann RT, Knapp S, Schröder M, Müller S.
Publié dans: STAR Protoc., 2022, ISSN 2666-1667
Éditeur: Cell Press
DOI: 10.1016/j.xpro.2022.101791

The novel adrenergic agonist ATR-127 targets skeletal muscle and brown adipose tissue to tackle diabesity and steatohepatitis

Auteurs: Emanuela Talamonti, Jelena Davegardh, Anastasia Kalinovich, Sten M.M. van Beek, Nodi Dehvari, Carina Halleskog, Hamza M. Bokhari, Dana S. Hutchinson, Seungmin Ham, Laura J. Humphrys, Nicola C. Dijon, Aikaterini Motso, Anna Sandstrom, Evelyn Zacharewicz, Ilga Mutule, Edgars Suna, Jana Spura, Karolina Ditrychova, Leigh A. Stoddart, Nicholas D. Holliday, Shane C. Wright, Volker M. Lauschke, Soren Nie
Publié dans: Molecular Metabolism, Numéro 85, 2024, Page(s) 101931, ISSN 2212-8778
Éditeur: Elsevier GmbH
DOI: 10.1016/j.molmet.2024.101931

"CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13"

Auteurs: Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A. Abu-Saleh, Ayaz Ahmad, Jesus Alvarado-Huayhuaz, Oscar E. A. Arce, Roly J. Armstrong, Cheryl Arrowsmith, Kelly E. Bachta, Hartmut Beck, Denes Berta, Mateusz K. Bieniek, Vincent Blay, Albina Bolotokova, Philip E. Bourne, Marko Breznik, Peter J. Brown, Aaron D. G. Campbell, Emanuele Carosati, Irene Chau, Daniel J. Cole, Ben Cree, Wim Dehaen, Ka
Publié dans: Journal of Chemical Information and Modeling, Numéro 65, 2025, Page(s) 6884-6898, ISSN 1549-9596
Éditeur: American Chemical Society
DOI: 10.1021/acs.jcim.5c00535

No shortcuts to SARS-CoV-2 antivirals.

Auteurs: Edwards A, Hartung IV
Publié dans: Science, 2021, ISSN 0036-8075
Éditeur: American Association for the Advancement of Science
DOI: 10.1126/science.abj9488

Targeting MYC effector functions in pancreatic cancer by inhibiting the ATPase RUVBL1/2

Auteurs: Markus Vogt, Nevenka Dudvarski Stankovic, Yiliam Cruz Garcia, Julia Hofstetter, Katharina Schneider, Filiz Kuybu, Theresa Hauck, Bikash Adhikari, Anton Hamann, Yamila Rocca, Lara Grysczyk, Benedikt Martin, Anneli Gebhardt-Wolf, Armin Wiegering, Markus Diefenbacher, Georg Gasteiger, Stefan Knapp, Dieter Saur, Martin Eilers, Mathias Rosenfeldt, Florian Erhard, Seychelle M Vos, Elmar Wolf
Publié dans: Gut, Numéro 73, 2024, Page(s) 1509-1528, ISSN 0017-5749
Éditeur: BMJ Publishing Group
DOI: 10.1136/gutjnl-2023-331519

Chemogenomics for steroid hormone receptors (NR3)

Auteurs: Espen Schallmayer, Laura Isigkeit, Lewis Elson, Susanne Müller, Stefan Knapp, Julian A. Marschner, Daniel Merk
Publié dans: Communications Chemistry, Numéro 8, 2025, ISSN 2399-3669
Éditeur: Springer Science and Business Media LLC
DOI: 10.1038/s42004-025-01427-z

Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family

Auteurs: Olivier E. Nonga, Darja Lavogina, Erki Enkvist, Katrin Kestav, Apirat Chaikuad, Sarah E. Dixon-Clarke, Alex N. Bullock, Sergei Kopanchuk, Taavi Ivan, Ramesh Ekambaram, Kaido Viht, Stefan Knapp, Asko Uri
Publié dans: Molecules, Numéro 26/14, 2021, Page(s) 4353, ISSN 1420-3049
Éditeur: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26144353

Mutation in Abl kinase with altered drug-binding kinetics indicates a novel mechanism of imatinib resistance

Auteurs: Lyczek A, Berger BT, Rangwala AM, Paung Y, Tom J, Philipose H, Guo J, Albanese SK, Robers MB, Knapp S, Chodera JD, Seeliger MA.
Publié dans: Proc Natl Acad Sci U S A, 2021, ISSN 0027-8424
Éditeur: National Academy of Sciences
DOI: 10.1073/pnas.2111451118

RNF8 ubiquitylation of XRN2 facilitates R-loop resolution and restrains genomic instability in BRCA1 mutant cells

Auteurs: Rehna Krishnan, Mariah Lapierre, Brandon Gautreau, Kevin C J Nixon, Samah El Ghamrasni, Parasvi S Patel, Jun Hao, V Talya Yerlici, Kiran Kumar Naidu Guturi, Jonathan St-Germain, Francesca Mateo, Amine Saad, Arash Algouneh, Rebecca Earnshaw, Duan Shili, Alma Seitova, Joshua Miller, Negin Khosraviani, Adam Penn, Brandon Ho, Otto Sanchez, M Prakash Hande, Jean-Yves Masson, Grant W Brown, Moulay Alaou
Publié dans: Nucleic Acids Res, 2023, ISSN 0305-1048
Éditeur: Oxford University Press
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The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification

Auteurs: Carrow I. Wells, Hassan Al-Ali, David M. Andrews, Christopher R. M. Asquith, Alison D. Axtman, Ivan Dikic, Daniel Ebner, Peter Ettmayer, Christian Fischer, Mathias Frederiksen, Robert E. Futrell, Nathanael S. Gray, Stephanie B. Hatch, Stefan Knapp, Ulrich Lücking, Michael Michaelides, Caitlin E. Mills, Susanne Müller, Dafydd Owen, Alfredo Picado, Kumar S. Saikatendu, Martin Schröder, Alexandra
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Post-transcriptional and Post-translational Modifications of Primary Cilia: How to Fine Tune Your Neuronal Antenna.

Auteurs: Rocha C, Prinos P
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Conformation- and activation-based BRET sensors differentially report on GPCR–G protein coupling

Auteurs: Shane C. Wright, Charlotte Avet, Supriya A. Gaitonde, Itziar Muneta-Arrate, Christian Le Gouill, Mireille Hogue, Billy Breton, Stefania Koutsilieri, Rebeca Diez Alarcia, Madeleine Héroux, Volker M. Lauschke, Michel Bouvier
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Challenges and advances for huntingtin detection in cerebrospinal fluid: in support of relative quantification

Auteurs: Rachel J. Harding, Yuanyun Xie, Nicholas S. Caron, Hailey Findlay-Black, Caroline Lyu, Nalini Potluri, Renu Chandrasekaran, Michael R. Hayden, Blair R. Leavitt, Douglas R. Langbehn, Amber L. Southwell
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DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity

Auteurs: Martin Schröder, Alex N. Bullock, Oleg Fedorov, Franz Bracher, Apirat Chaikuad, Stefan Knapp
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A ligand discovery toolbox for the WWE domain family of human E3 ligases

Auteurs: Lena Münzker, Serah W. Kimani, Milan M. Fowkes, Aiping Dong, Hong Zheng, Yanjun Li, Morgan Dasovich, Krzysztof M. Zak, Anthony K. L. Leung, Jonathan M. Elkins, Dirk Kessler, Cheryl H. Arrowsmith, Levon Halabelian, Jark Böttcher
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Chemical arsenal for helicase Hunters: Striking the toughest targets in antiviral research

Auteurs: Holli-Joi Martin, Mohammad Anwar Hossain, James Wellnitz, Enes Kelestemur, Joshua E. Hochuli, Sumera Perveen, Cheryl Arrowsmith, Timothy M. Willson, Eugene N. Muratov, Alexander Tropsha
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Genotoxicity and Epigenotoxicity of Carbazole-Derived Molecules on MCF-7 Breast Cancer Cells

Auteurs: Claudio Luparello, Ilenia Cruciata, Andreas C. Joerger, Cory A. Ocasio, Rhiannon Jones, Raysa Khan Tareque, Mark C. Bagley, John Spencer, Martin Walker, Carol Austin, Tiziana Ferrara, Pietro D′Oca, Rossella Bellina, Rossella Branni, Fabio Caradonna
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Virtual fragment screening for DNA repair inhibitors in vast chemical space

Auteurs: Andreas Luttens, Duc Duy Vo, Emma R. Scaletti, Elisée Wiita, Ingrid Almlöf, Olov Wallner, Jonathan Davies, Sara Košenina, Liuzhen Meng, Maeve Long, Oliver Mortusewicz, Geoffrey Masuyer, Flavio Ballante, Maurice Michel, Evert Homan, Martin Scobie, Christina Kalderén, Ulrika Warpman Berglund, Andrii V. Tarnovskiy, Dmytro S. Radchenko, Yurii S. Moroz, Jan Kihlberg, Pål Stenmark, Thomas Helleday,
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Autoantibodies against Four-and-a-Half-LIM Domain 1 (FHL1) in Inflammatory Myopathies: Results from an Australian Single-Center Cohort.

Auteurs: Galindo-Feria AS, Horuluoglu B, Day J, Fernandes-Cerqueira C, Wigren E, Gräslund S, Proudman S, Lundberg IE, Limaye V
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Structural insights into a regulatory mechanism of FIR RRM1-FUSE interaction

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Association of IL2RA and multiple sclerosis risk: A case control, systematic review, and meta-analysis study

Auteurs: Fatemeh Rangani, Nahid Rakhshi, Zahra Kadkhoda Mezerji, Asieh Alikhah, Reyhaneh Dehghanzad, Babak Abbasi, Amirhossein Ahmadi, Abbas Nikravesh, Majid Pahlevan Kakhki
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SS148 and WZ16 inhibit the activities of nsp10-nsp16 complexes from all seven human pathogenic coronaviruses.

Auteurs: Li F, Ghiabi P, Hajian T, Klima M, Li ASM, Yazdi AK, Chau I, Loppnau P, Kutera M, Seitova A, Bolotokova A, Hutchinson A, Perveen S, Boura E, Vedadi M
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Adjudin improves beta cell maturation, hepatic glucose uptake and glucose homeostasis

Auteurs: Lipeng Ren, Jérémie Charbord, Lianhe Chu, Aurino M Kemas, Maria Bertuzzi, Jiarui Mi, Chen Xing, Volker M Lauschke, Olov Andersson
Publié dans: Diabetologia, 2023, ISSN 0012-186X
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Prediction and Validation of a Protein's Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence.

Auteurs: Peng X, Baxa M, Faruk N, Sachleben JR, Pintscher S, Gagnon IA, Houliston S, Arrowsmith CH, Freed KF, Rocklin GJ, Sosnick TR
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Discovery and Characterization of BAY-805, a Potent and Selective Inhibitor of Ubiquitin-Specific Protease USP21

Auteurs: Fabian Göricke; Victoria Vu; Leanna Smith; Ulrike Scheib; Raphael Böhm; Namik Akkilic; Gerd Wohlfahrt; Jörg Weiske; Ulf Bömer; Krzysztof Brzezinka; Niels Lindner; Philip Lienau; Stefan Gradl; Hartmut Beck; Peter J. Brown; Vijayaratnam Santhakumar; Masoud Vedadi; Dalia Barsyte-Lovejoy; Cheryl H. Arrowsmith; Norbert Schmees; Kirstin Petersen
Publié dans: Crossref, Numéro 3, 2023, ISSN 0022-2623
Éditeur: American Chemical Society
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Editorial: The next generation of tools and technologies for studying human neurons in a dish

Auteurs: Thomas M. Durcan and Alison D. Axtman
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The efflux pump ABCC1/MRP1 constitutively restricts PROTAC sensitivity in cancer cells

Auteurs: Gernot Wolf, Conner Craigon, Shao Thing Teoh, Patrick Essletzbichler, Svenja Onstein, Diane Cassidy, Esther C.H. Uijttewaal, Vojtech Dvorak, Yuting Cao, Ariel Bensimon, Ulrich Elling, Alessio Ciulli, Giulio Superti-Furga
Publié dans: Cell Chemical Biology, Numéro 32, 2025, Page(s) 291-306.e6, ISSN 2451-9456
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7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a “Cut and Glue” Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors

Auteurs: Mehmet Karatas, Apirat Chaikuad, Bianca Berger, Michael H. G. Kubbutat, Frank Totzke, Stefan Knapp, Conrad Kunick
Publié dans: Molecules, Numéro 26/6, 2021, Page(s) 1611, ISSN 1420-3049
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Pharmacogenomics in the era of next generation sequencing – from byte to bedside

Auteurs: Laura E. Russell, Yitian Zhou, Ahmed A. Almousa, Jasleen K. Sodhi, Chukwunonso K. Nwabufo, Volker M. Lauschke
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Structure and Function of Protein Arginine Methyltransferase PRMT7.

Auteurs: Halabelian L, Barsyte-Lovejoy D
Publié dans: Life (Basel), 2021, ISSN 2075-1729
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Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of Chikungunya nsP2 Cysteine Protease with Antialphavirus Activity

Auteurs: Anirban Ghoshal, Kesatebrhan Haile Asressu, Mohammad Anwar Hossain, Peter J. Brown, Meganathan Nandakumar, Anand Vala, Eric M. Merten, John D. Sears, Isabella Law, Jane E. Burdick, Noah L. Morales, Sumera Perveen, Kenneth H. Pearce, Konstantin I. Popov, Nathaniel J. Moorman, Mark T. Heise, Timothy M. Willson
Publié dans: Journal of Medicinal Chemistry, Numéro 67, 2024, Page(s) 16505-16532, ISSN 0022-2623
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Scaffold hopping from amodiaquine to novel Nurr1 agonist chemotypes via microscale analogue libraries.

Auteurs: Willems, S.; Müller, M.; Ohrndorf, J.; Heering, J.; Proschak, E.; Merk, D.
Publié dans: ChemMedChem, 2022, ISSN 1860-7179
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Conformation and dynamics of the kinase domain drive subcellular location and activation of LRRK2

Auteurs: Sven H. Schmidt, Jui-Hung Weng, Phillip C. Aoto, Daniela Boassa, Sebastian Mathea, Steve Silletti, Junru Hu, Maximilian Wallbott, Elizabeth A. Komives, Stefan Knapp, Friedrich W. Herberg, Susan S. Taylor
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Integrated analysis of Shank1 PDZ interactions with C-terminal and internal binding motifs

Auteurs: Muhammad Ali, Mishal Mariam McAuley, Susanne Lüchow, Stefan Knapp, Andreas C. Joerger, Ylva Ivarsson
Publié dans: Current Research in Structural Biology, Numéro 3, 2021, Page(s) 41-50, ISSN 2665-928X
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Disease-associated KBTBD4 mutations in medulloblastoma elicit neomorphic ubiquitylation activity to promote CoREST degradation

Auteurs: Chen, Z., Ioris, R. M., Richardson, S., Van Ess, A. N., Vendrell, I., Kessler, B.M., Buffa, F.M., Busino, L., Clifford, S. C., Bullock, A. N. D'Angiolella, V.
Publié dans: Cell Death Differ., 2022, ISSN 1350-9047
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Huntingtin structure is orchestrated by HAP40 and shows a polyglutamine expansion-specific interaction with exon 1.

Auteurs: Harding RJ, Deme JC, Hevler JF, Tamara S, Lemak A, Cantle JP, Szewczyk MM, Begeja N, Goss S, Zuo X, Loppnau P, Seitova A, Hutchinson A, Fan L, Truant R, Schapira M, Carroll JB, Heck AJR, Lea SM, Arrowsmith CH
Publié dans: Commun Biol, 2021, ISSN 2399-3642
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Discovery of Nanomolar DCAF1 Small Molecule Ligands.

Auteurs: Li ASM, Kimani S, Wilson B, Noureldin M, GonzÃ¡lez-Ãlvarez H, Mamai A, Hoffer L, Guilinger JP, Zhang Y, von Rechenberg M, Disch JS, Mulhern CJ, Slakman BL, Cuozzo JW, Dong A, Poda G, Mohammed M, Saraon P, Mittal M, Modh P, Rathod V, Patel B, Ackloo S, Santhakumar V, Szewczyk MM, Barsyte-Lovejoy D, Arrowsmith CH, Marcellus R, GuiÃ© MA, Keefe AD, Brown PJ, Halabelian L, Al-Awar R, Vedadi M
Publié dans: Journal of Medicinal Chemistry, 2023, ISSN 0022-2623
Éditeur: American Chemical Society
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Mutation in the Common Docking Domain Affects MAP Kinase ERK2 Catalysis and Stability

Auteurs: Novak L, Petrosino M, Pasquo A, Chaikuad A, Chiaraluce R, Knapp S, Consalvi V
Publié dans: Cancers (Basel), 2023, ISSN 2072-6694
Éditeur: Multidisciplinary Digital Publishing Institute (MDPI)
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Toxicogenomics of drug induced liver injury – from mechanistic understanding to early prediction.

Auteurs: Volker M. Lauschke
Publié dans: Drug Metabolism Reviews, 2021, Page(s) 1-8, ISSN 0360-2532
Éditeur: Marcel Dekker Inc.
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De novo design of immunoglobulin-like domains.

Auteurs: Chidyausiku TM, Mendes SR, Klima JC, Nadal M, Eckhard U, Roel-Touris J, Houliston S, Guevara T, Haddox HK, Moyer A, Arrowsmith CH, Gomis-RÃ¼th FX, Baker D, Marcos E
Publié dans: Nat Commun, 2022, ISSN 2041-1723
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Covalent Proximity Scanning of a Distal Cysteine to Target PI3Kα

Auteurs: Chiara Borsari, Erhan Keles, Jacob A. McPhail, Alexander Schaefer, Rohitha Sriramaratnam, Wojciech Goch, Thorsten Schaefer, Martina De Pascale, Wojciech Bal, Matthias Gstaiger, John E. Burke, and Matthias P. Wymann
Publié dans: Journal of the American Chemical Society, 2022, ISSN 0002-7863
Éditeur: American Chemical Society
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ProxyBind: A compendium of binding sites for proximity-induced pharmacology.

Auteurs: Rovers E, Liu L, Schapira M
Publié dans: Computational and Structural Biotechnology Journal, 2022, ISSN 2001-0370
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Nurr1 Modulation Mediates Neuroprotective Effects of Statins

Auteurs: Sabine Willems, Julian A. Marschner, Whitney Kilu, Giuseppe Faudone, Romy Busch, Silke Duensing-Kropp, Jan Heering, Daniel Merk
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A chemical screen identifies PRMT5 as a therapeutic vulnerability for paclitaxel-resistant triple-negative breast cancer

Auteurs: KeJing Zhang, Juan Wei, SheYu Zhang, Liyan Fei, Lu Guo, Xueying Liu, YiShuai Ji, WenJun Chen, Felipe E. Ciamponi, WeiChang Chen, MengXi Li, Jie Zhai, Ting Fu, Katlin B. Massirer, Yang Yu, Mathieu Lupien, Yong Wei, Cheryl. H. Arrowsmith, Qin Wu, WeiHong Tan
Publié dans: Cell Chemical Biology, Numéro 31, 2024, Page(s) 1942-1957.e6, ISSN 2451-9456
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"CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein"

Auteurs: Fengling Li, Suzanne Ackloo, Cheryl H. Arrowsmith, Fuqiang Ban, Christopher J. Barden, Hartmut Beck, Jan Beránek, Francois Berenger, Albina Bolotokova, Guillaume Bret, Marko Breznik, Emanuele Carosati, Irene Chau, Yu Chen, Artem Cherkasov, Dennis Della Corte, Katrin Denzinger, Aiping Dong, Sorin Draga, Ian Dunn, Kristina Edfeldt, Aled Edwards, Merveille Eguida, Paul Eisenhuth, Lukas Friedrich, Al
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Éditeur: American Chemical Society
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E3 Ligase Ligands for PROTACs: How They Were Found and How to Discover New Ones

Auteurs: Tasuku Ishida, Alessio Ciulli
Publié dans: SLAS DISCOVERY: Advancing the Science of Drug Discovery, Numéro 26/4, 2021, Page(s) 484-502, ISSN 2472-5552
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Octyl itaconate enhances VSVΔ51 oncolytic virotherapy by multitarget inhibition of antiviral and inflammatory pathways

Auteurs: Naziia Kurmasheva, Aida Said, Boaz Wong, Priscilla Kinderman, Xiaoying Han, Anna H. F. Rahimic, Alena Kress, Madalina E. Carter-Timofte, Emilia Holm, Demi van der Horst, Christoph F. Kollmann, Zhenlong Liu, Chen Wang, Huy-Dung Hoang, Elina Kovalenko, Maria Chrysopoulou, Krishna Sundar Twayana, Rasmus N. Ottosen, Esben B. Svenningsen, Fabio Begnini, Anders E. Kiib, Florian E. H. Kromm, Hauke J. Wei
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Discovery of 3-Amino-1-pyrazole-Based Kinase Inhibitors to Illuminate the Understudied PCTAIRE Family.

Auteurs: Amrhein JA, Berger LM, Tjaden A, Krämer A, Elson L, Tolvanen T, Martinez-Molina D, Kaiser A, Schubert-Zsilavecz M, Müller S, Knapp S, Hanke T
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Role of FAM134 paralogues in endoplasmic reticulum remodeling, ER‐phagy, and Collagen quality control

Auteurs: Alessio Reggio, Viviana Buonomo, Rayene Berkane, Ramachandra M Bhaskara, Mariana Tellechea, Ivana Peluso, Elena Polishchuk, Giorgia Di Lorenzo, Carmine Cirillo, Marianna Esposito, Adeela Hussain, Antje K Huebner, Christian A Hübner, Carmine Settembre, Gerhard Hummer, Paolo Grumati, Alexandra Stolz
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Structural variation of the coding and non-coding human pharmacogenome

Auteurs: Roman Tremmel, Yitian Zhou, Matthias Schwab & Volker M. Lauschke
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Target 2035 - update on the quest for a probe for every protein.

Auteurs: Muller, S., Ackloo, S., Al Chawaf, A., Al-Lazikani, B., Antolin, A., Baell, J. B., Beck, H., Beedie, S., Betz, U. A. K., Bezerra, G. A., Brennan, P. E., Brown, D., Brown, P. J., Bullock, A. N., Carter, A. J., Chaikuad, A., Chaineau, M., Ciulli, A., Collins, I., Dreher, J., Drewry, D., Edfeldt, K., Edwards, A. M., Egner, U., Frye, S. V., Fuchs, S. M., Hall, M. D., Hartung, I. V., Hillisch, A., Hitc
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Pathway selectivity in Frizzleds is achieved by conserved micro-switches defining pathway-determining, active conformations

Auteurs: Lukas Grätz, Maria Kowalski-Jahn, Magdalena M. Scharf, Pawel Kozielewicz, Michael Jahn, Julien Bous, Nevin A. Lambert, David E. Gloriam & Gunnar Schulte
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A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.

Auteurs: Liu Y, Iqbal A, Li W, Ni Z, Wang Y, Ramprasad J, Abraham KJ, Zhang M, Zhao DY, Qin S, Loppnau P, Jiang H, Guo X, Brown PJ, Zhen X, Xu G, Mekhail K, Ji X, Bedford MT, Greenblatt JF, Min J
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Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity

Auteurs: Kesatebrhan Haile Asressu,Jeffery L. Smith, Rebekah J. Dickmander, Nathaniel J. Moorman, James Wellnitz, Konstantin I. Popov, Alison D. Axtman,nand Timothy M. Willson
Publié dans: Pharmaceuticals (Basel), 2024, ISSN 1424-8247
Éditeur: Multidisciplinary Digital Publishing Institute (MDPI)
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ChemRAP uncovers specific mRNA translation regulation via RNA 5' phospho-methylation

Auteurs: Ipas H, Gouws EB, Abell NS, Chiou PC, Devanathan SK, Hervé S, Lee S, Mercado M, Reinsborough C, Halabelian L, Arrowsmith CH, Xhemalçe B
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A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins

Auteurs: Suzanne Ackloo, Fengling Li, Magda Szewczyk, Almagul Seitova, Peter Loppnau, Hong Zeng, Jin Xu, Shabbir Ahmad, Yelena A Arnautova, A. J. Baghaie, Serap Beldar, Albina Bolotokova, Paolo A. Centrella, Irene Chau, Matthew A. Clark, John W. Cuozzo, Saba Dehghani-Tafti, Jeremy S. Disch, Aiping Dong, Antoine Dumas, Jianwen A. Feng, Pegah Ghiabi, Elisa Gibson, Justin Gilmer, Brian Goldman, Stuart R Green
Publié dans: Journal of Medicinal Chemistry, Numéro 68, 2025, Page(s) 1092-1112, ISSN 0022-2623
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Enzymatic nucleosome acetylation selectively affects activity of histone methyltransferases in vitro

Auteurs: Trush, Viacheslav V.; Feller, Christian; Li, Alice Shi Ming; Allali-Hassani, Abdellah; Szewczyk, Magdalena M.; Chau, Irene; Eram, Mohammad S.; Jiang, Boya; Luu, Raymond; Zhang, Fangfei; Barsyte-Lovejoy, Dalia; Aebersold, Ruedi; Arrowsmith, Cheryl H.; Vedadi, Masoud
Publié dans: Biochimica et Biophysica Acta - Gene Regulatory Mechanisms, 1865 (5), Numéro 1, 2022, ISSN 1874-9399
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Rational Design of PROTAC Linkers Featuring Ferrocene as a Molecular Hinge to Enable Dynamic Conformational Changes

Auteurs: Alessandra Salerno, Lianne H. E. Wieske, Claudia J. Diehl, Alessio Ciulli
Publié dans: Journal of the American Chemical Society, Numéro 147, 2025, Page(s) 13328-13344, ISSN 0002-7863
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DiscoveryofPotentandExquisitelySelectiveInhibitorsofKinaseCK1withTunableIsoformSelectivity

Auteurs: Němec V, Khirsariya P, Janovská P, Moyano PM, Maier L, Procházková P, Kebková P, Gybel' T, Berger BT, Chaikuad A, Reinecke M, Kuster B, Knapp S, Bryja V, Paruch K.
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ChemBioPort: an online portal to navigate the structure, function and chemical inhibition of the human proteome

Auteurs: Lihua Liu, Evianne Rovers, Matthieu Schapira
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A Consensus Compound/Bioactivity Dataset for Data-Driven Drug Design and Chemogenomics

Auteurs: Isigkeit, L.; Chaikuad, A.; Merk, D
Publié dans: Molecules, 2022, ISSN 1420-3049
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The Past, Present and Future of Intestinal In Vitro Cell Systems for Drug Absorption Studies

Auteurs: Sonia Youhanna, Volker M. Lauschke
Publié dans: Journal of Pharmaceutical Sciences, Numéro 110/1, 2021, Page(s) 50-65, ISSN 0022-3549
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Stereochemical inversion at a 1,4-cyclohexyl PROTAC linker fine-tunes conformation and binding affinity

Auteurs: Martina Pierri, Xingui Liu, Alena Kroupova, Zoe Rutter, Alex J. Hallatt, Alessio Ciulli
Publié dans: Bioorganic & Medicinal Chemistry Letters, Numéro 110, 2024, Page(s) 129861, ISSN 0960-894X
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Identification of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach

Auteurs: Eric M. Merten, John D. Sears, Tina M. Leisner, P. Brian Hardy, Anirban Ghoshal, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Peter J. Brown, Edwin G. Tse, Michael A. Stashko, Kelin Li, Jacqueline L. Norris-Drouin, Laura E. Herring, Angie L. Mordant, Thomas S. Webb, Christine A. Mills, Natalie K. Barker, Zachary J. Streblow, Sumera Perveen, Cheryl H. Arrowsmith, Rafael Miguez Couñago, Jamie
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Éditeur: National Academy of Sciences
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Longitudinal assessment of reactivity and affinity profile of anti-Jo1 autoantibodies to distinct HisRS domains and a splice variant in a cohort of patients with myositis and anti-synthetase syndrome

Auteurs: Notarnicola A, Preger C, Lundström SL, Renard N, Wigren E, Van Gompel E, Galindo-Feria AS, Persson H, Fathi M, Grunewald J, Jakobsson PJ, Gräslund S, Lundberg IE, Fernandes-Cerqueira C
Publié dans: Arthritis research and therapy, 2022, ISSN 1478-6362
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Target 2035 – an update on private sector contributions

Auteurs: Suzanne Ackloo, * a Albert A. Antolin, b Jose Manuel Bartolome, c Hartmut Beck, d Alex Bullock, e Ulrich A. K. Betz, f Jark Böttcher, g Peter J. Brown, h Menorca Chaturvedi, i Alisa Crisp,j Danette Daniels, k Jan Dreher, d Kristina Edfeldt, l Aled M. Edwards, a Ursula Egner, m Jon Elkins, e Christian Fischer, n Tine Glendorf, o Steven Goldberg, p Ingo V. Hartung, q Alexander Hillisch, d Evert Hom
Publié dans: RSC Medicinal Chemistry, 2022, ISSN 2040-2503
Éditeur: Royal Society of Chemistry
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Recent developments in in vitro and in vivo models for improved translation of preclinical pharmacokinetics and pharmacodynamics data

Auteurs: Jaydeep Yadav, Mehdi El Hassani, Jasleen Sodhi, Volker M. Lauschke, Jessica H. Hartman & Laura E. Russell
Publié dans: Drug Metabolism Reviews, 2021, ISSN 0360-2532
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Atg8 family proteins, LIR/AIM motifs and other interaction modes

Auteurs: Rogov VV, Nezis IP, Tsapras P, Zhang H, Dagdas Y, Noda NN, Nakatogawa H, Wirth M, Mouilleron S, McEwan DG, Behrends C, Deretic V, Elazar Z, Tooze SA, Dikic I, Lamark T, Johansen T.
Publié dans: Autophagy Rep, 2023, ISSN 1554-8627
Éditeur: Landes Bioscience
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Altered desensitization and internalization patterns of rodent versus human glucose‐dependent insulinotropic polypeptide (GIP) receptors. An important drug discovery challenge

Auteurs: Lærke Smidt Gasbjerg, Rasmus Syberg Rasmussen, Adrian Dragan, Peter Lindquist, Josefine Ulrikke Melchiorsen, Tomasz Maciej Stepniewski, Sine Schiellerup, Esther Karen Tordrup, Sarina Gadgaard, Hüsün Sheyma Kizilkaya, Sabine Willems, Yi Zhong, Yi Wang, Shane C. Wright, Volker M. Lauschke, Bolette Hartmann, Jens Juul Holst, Jana Selent, Mette Marie Rosenkilde
Publié dans: British Journal of Pharmacology, Numéro 182, 2025, Page(s) 3353-3370, ISSN 0007-1188
Éditeur: Wiley-Blackwell
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Assessing reversible and irreversible binding effects of kinase covalent inhibitors through ADP-Glo assays.

Auteurs: 37. Schröder M, Chaikuad A.
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Covalent Targeting Leads to the Development of a LIMK1 Isoform-Selective Inhibitor

Auteurs: Sebastian Mandel, Thomas Hanke, Niall Prendiville, María Baena-Nuevo, Lena Marie Berger, Frederic Farges, Martin Peter Schwalm, Benedict-Tilman Berger, Andreas Kraemer, Lewis Elson, Hayuningbudi Saraswati, Kamal R. Abdul Azeez, Verena Dederer, Sebastian Mathea, Ana Corrionero, Patricia Alfonso, Sabrina Keller, Matthias Gstaiger, Daniela S. Krause, Susanne Müller, Sandra Röhm, Stefan Knapp
Publié dans: Journal of Medicinal Chemistry, Numéro 68, 2025, Page(s) 15026-15049, ISSN 0022-2623
Éditeur: American Chemical Society
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Chemogenomics for NR1 nuclear hormone receptors

Auteurs: Laura Isigkeit, Espen Schallmayer, Romy Busch, Lorene Brunello, Amelie Menge, Lewis Elson, Susanne Müller, Stefan Knapp, Alexandra Stolz, Julian A. Marschner, Daniel Merk
Publié dans: Nature Communications, Numéro 15, 2024, ISSN 2041-1723
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The human pseudouridine synthase PUS7 recognizes RNA with an extended multi-domain binding surface.

Auteurs: Guegueniat J, Halabelian L, Zeng H, Dong A, Li Y, Wu H, Arrowsmith CH, Kothe U
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The pro-drug C13 activates AMPK by two distinct mechanisms

Auteurs: Jordana B. Freemantle, Dinesh Shah, Dylan M. Lynch, Alessio Ciulli, Harinder S. Hundal, D. Grahame Hardie
Publié dans: Biochemical Journal, Numéro 481, 2024, Page(s) 1203-1219, ISSN 0264-6021
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Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.

Auteurs: Bashore FM, Marquez AB, Chaikuad A, Howell S, Dunn AS, Beltran AA, Smith JL, Drewry DH, Beltran AS, Axtman AD.
Publié dans: Sci Rep, 2023, ISSN 2045-2322
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Human resident liver myeloid cells protect against metabolic stress in obesity

Auteurs: Emelie Barreby, Benedikt Strunz, Sebastian Nock, Léa Naudet, Joanne X. Shen, Helene Johansson, Isabella Sönnerborg, Junjie Ma, Egon Urgard, Laura J. Pallett, Yizhou Hu, Achilleas Fardellas, Valerio Azzimato, Ana Vankova, Laura Levi, Cecilia Morgantini, Mala K. Maini, Per Stål, Stephan P. Rosshart, Jonathan M. Coquet, Greg Nowak, Erik Näslund, Volker M. Lauschke, Ewa Ellis, Niklas K. Björkstr
Publié dans: Nature Metabolism, 2023, ISSN 2522-5812
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Compound Absorption in Polymer Devices Impairs the Translatability of Preclinical Safety Assessments

Auteurs: Aurino M. Kemas, Reza Zandi Shafagh, Nayere Taebnia, Maurice Michel, Lena Preiss, Ute Hofmann, Volker M. Lauschke
Publié dans: Advanced Healthcare Materials, Numéro 13, 2024, ISSN 2192-2640
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Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5- a]pyrimidines toward the Development of an In Vivo Chemical Probe for CSNK2A

Auteurs: Xuan Yang , Han Wee Ong , Rebekah J Dickmander, Jeffery L Smith, Jason W Brown, William Tao, Edcon Chang, Nathaniel J Moorman , Alison D Axtman, Timothy M Willson
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Assembly and Application of a Low Budget Photoreactor**

Auteurs: Olov Wallner, Kirill Mamonov, Florian Ortis, Dana Michel, Maurice Michel
Publié dans: Chemistry–Methods, Numéro 1/5, 2021, Page(s) 240-244, ISSN 2628-9725
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Characterization of genetic variants of GIPR reveals a contribution of β-arrestin to metabolic phenotypes

Auteurs: Hüsün S. Kizilkaya, Kimmie V. Sørensen, Jakob S. Madsen, Peter Lindquist, Jonathan D. Douros, Jette Bork-Jensen, Alessandro Berghella, Peter A. Gerlach, Lærke S. Gasbjerg, Jacek Mokrosiński, Stephanie A. Mowery, Patrick J. Knerr, Brian Finan, Jonathan E. Campbell, David A. D’Alessio, Diego Perez-Tilve, Felix Faas, Signe Mathiasen, Jørgen Rungby, Henrik T. Sørensen, Allan Vaag, Jens S. Nie
Publié dans: Nature Metabolism, Numéro 6, 2024, Page(s) 1268-1281, ISSN 2522-5812
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A Screening of Epigenetic Therapeutic Targets for Non-Small Cell Lung Cancer Reveals PADI4 and KDM6B as Promising Candidates

Auteurs: Lesbon JCC, Garnica TK, Xavier PLP, Rochetti AL, Reis RM, Müller S, Fukumasu H.
Publié dans: International Journal of Molecular Sciences, 2022, ISSN 1422-0067
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The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks

Auteurs: Christian Kramer, John Chodera, Kelly L. Damm-Ganamet, Michael K. Gilson, Judith Günther, Uta Lessel, Richard A. Lewis, David Mobley, Eva Nittinger, Adam Pecina, Matthieu Schapira, W. Patrick Walters
Publié dans: Journal of Chemical Information and Modeling, Numéro 65, 2025, Page(s) 2180-2190, ISSN 1549-9596
Éditeur: American Chemical Society
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Calcium/calmodulin-dependent protein kinase kinase 2 regulates hepatic fuel metabolism

Auteurs: Stork BA, Dean A, Ortiz AR, Saha P, Putluri N, Planas-Silva MD, Mahmud I, Rajapakshe K, Coarfa C, Knapp S, Lorenzi PL, Kemp BE, Turk BE, Scott JW, Means AR, York B.
Publié dans: Mol Metab, 2022, ISSN 2212-8778
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Use of Aldehyde–Alkyne–Amine Couplings to Generate Medicinal Chemistry-Relevant Linkers

Auteurs: Andrew McGown, Vesna Vetma, Damien Crepin, Yan Lin, Claire Adcock, Conner Craigon, Jordan Nafie, Daniel von Emloh, Léa Sutton, Kiera Bailey, Lewis Edmunds, Manvendra Sharma, Jonathan D. Wilden, Simon J. Coles, Graham J. Tizzard, William Farnaby, Alessio Ciulli, George E. Kostakis, John Spencer
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Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput

Auteurs: Yuqing Jia, Robbert Q. Kim, Raymond Kooij, Huib Ovaa, Aysegul Sapmaz*, and Paul P. Geurink*
Publié dans: J Med Chem, 2022, ISSN 0022-2623
Éditeur: American Chemical Society
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Insulin‐dependent glucose consumption dynamics in 3D primary human liver cultures measured by a sensitive and specific glucose sensor with nanoliter input volume

Auteurs: Aurino M. Kemas, Sonia Youhanna, Reza Zandi Shafagh, Volker M. Lauschke
Publié dans: The FASEB Journal, Numéro 35/3, 2021, ISSN 0892-6638
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Selective BH3 mimetics synergize with BET inhibition to induce mitochondrial apoptosis in rhabdomyosarcoma cells

Auteurs: Erdogdu U, Dolgikh N, Laszig S, Särchen V, Meister MT, Wanior M, Knapp S, Boedicker C
Publié dans: Neoplasia, 2022, ISSN 1522-8002
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Discovery of a novel inhibitor of macropinocytosis with antiviral activity

Auteurs: Bartlomiej Porebski, Wanda Christ, Alba Corman, Martin Haraldsson, Myriam Barz, Louise Lidemalm, Maria Häggblad, Juliana Ilmain, Shane C. Wright, Matilde Murga, Jan Schlegel, Malin Jarvius, Maris Lapins, Erdinc Sezgin, Gira Bhabha, Volker M. Lauschke, Jordi Carreras-Puigvert, Miguel Lafarga, Jonas Klingström, Daniela Hühn, Oscar Fernandez-Capetillo
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Opportunities and Challenges of Population Pharmacogenomics

Auteurs: Yitian Zhou, Yoomi Park, Mahamadou D. Camara, Volker M. Lauschke
Publié dans: Annals of Human Genetics, 2025, ISSN 0003-4800
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Detection of antibodies against the huntingtin protein in human plasma.

Auteurs: Denis HL, Alpaugh M, Alvarez CP, Fenyi A, Barker RA, Chouinard S, Arrowsmith CH, Melki R, Labib R, Harding RJ, Cicchetti F
Publié dans: Cell Mol Life Sci, 2023, ISSN 1420-682X
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Scaling of an antibody validation procedure enables quantification of antibody performance in major research applications

Auteurs: Ayoubi R, Ryan J, Biddle MS, Alshafie W, Fotouhi M, Bolivar SG, Ruiz Moleon V, Eckmann P, Worrall D, McDowell I, Southern K, Reintsch W, Durcan TM, Brown C, Bandrowski A, Virk H, Edwards AM, McPherson P, Laflamme C.
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Development of PROTAC Degrader Drugs for Cancer

Auteurs: Vesna Vetma, Suzanne O'Connor, Alessio Ciulli
Publié dans: Annual Review of Cancer Biology, Numéro 9, 2025, Page(s) 119-140, ISSN 2472-3428
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Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6

Auteurs: Harding RJ, Franzoni I, Mann MK, Szewczyk MM, Mirabi B, Ferreira de Freitas R, Owens DDG, Ackloo S, Scheremetjew A, Juarez-Ornelas KA, Sanichar R, Baker RJ, Dank C, Brown PJ, Barsyte-Lovejoy D, Santhakumar V, Schapira M, Lautens M, Arrowsmith CH
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A high-throughput approach to identify BRCA1-downregulating compounds to enhance PARP inhibitor sensitivity

Auteurs: Erin Sellars, Margarita Savguira, Jie Wu, Sabrina Cancelliere, Mark Jen, Rehna Krishnan, Anne Hakem, Dalia Barsyte-Lovejoy, Razqallah Hakem, Steven A. Narod, Joanne Kotsopoulos, Leonardo Salmena
Publié dans: iScience, Numéro 27, 2025, Page(s) 110180, ISSN 2589-0042
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Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation.

Auteurs: Pichon MM, Drelinkiewicz D, Lozano D, Moraru R, Hayward LJ, Jones M, McCoy MA, Allstrum-Graves S, Balourdas DI, Joerger AC, Whitby RJ, Goldup SM, Wells N, Langley GJ, Herniman JM, Baud MGJ.
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Structure-Based Development of Isoform Selective Inhibitors ofCasein Kinase 1ε vs. Casein Kinase 1δ

Auteurs: Choi JY, Noguchi Y, Alburger JM, Bayle S, Chung E, Grant W, Chaikuad A, Knapp S, Duckett DR, Roush WR.
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The identification of high-performing antibodies for transmembrane protein 106B (TMEM106B) for use in Western blot, immunoprecipitation, and immunofluorescence.

Auteurs: 3. Riham Ayoubi, Maryam Fotouhi, Kathleen Southern, Ritika Bhajiawala, Rebeka Fanti, Panagiotis Prinos, Peter S. McPherson, Carl Laflamme, NeuroSGC/YCharOS/EDDU collaborative group, ABIF Consortium.
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Discovery and characterization of a specific inhibitor of serine-threonine kinase cyclin-dependent kinase-like 5 (CDKL5) demonstrates role in hippocampal CA1 physiology

Auteurs: Anna Castano, Margaux Silvestre, Carrow I Wells, Jennifer L Sanderson, Carla A Ferrer, Han Wee Ong, Yi Lang, William Richardson, Josie A Silvaroli, Frances M Bashore, Jeffery L Smith, Isabelle M Genereux, Kelvin Dempster, David H Drewry, Navlot S Pabla, Alex N Bullock, Tim A Benke, Sila K Ultanir, and Alison D Axtman
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Rare genetic variability in human drug target genes modulates drug response and can guide precision medicine

Auteurs: Zhou, Y., Arribas, G. H., Turku, A., Jürgenson, T., Mkrtchian, S., Krebs, K., ... & Lauschke, V. M.
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Discovery of CHD1 Antagonists for PTEN-Deficient Prostate Cancer

Auteurs: Rebecca L. Johnson, Amanda L. Graboski, Fengling Li, Jacqueline L. Norris-Drouin, William G. Walton, Cheryl H. Arrowsmith, Matthew R. Redinbo, Stephen V. Frye, Lindsey I. James
Publié dans: Journal of Medicinal Chemistry, Numéro 67, 2024, Page(s) 20056-20075, ISSN 0022-2623
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A Chemical Toolbox for Labeling and Degrading Engineered Cas Proteins

Auteurs: Gama-Brambila RA, Chen J, Dabiri Y, Tascher G, Němec V, Münch C, Song G, Knapp S, Cheng X.
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The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.

Auteurs: Kimani SW, Perveen S, Szewezyk M, Zeng H, Dong A, Li F, Ghiabi P, Li Y, Chau I, Arrowsmith CH, Barsyte-Lovejoy D, Santhakumar V, Vedadi M, Halabelian L.
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Cdyl Deficiency Brakes Neuronal Excitability and Nociception through Promoting Kcnb1 Transcription in Peripheral Sensory Neurons.

Auteurs: Sun ZW, Waybright JM, Beldar S, Chen L, Foley CA, Norris-Drouin JL, Lyu TJ, Dong A, Min J, Wang YP, James LI, Wang Y
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GPCR Function in Autophagy Control: A Systematic Approach of Chemical Intervention

Auteurs: Pablo Sanz-Martinez, Georg Tascher, Sara Cano-Franco, Paloma Cabrerizo-Poveda, Christian Münch, Evert J. Homan, Alexandra Stolz
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Wnt/β-catenin and NFκB signaling synergize to trigger growth factor-free regeneration of adult primary human hepatocytes

Auteurs: Nuria Oliva-Vilarnau, Christian M Beusch , Pierre Sabatier, Eirini Sakaraki, Amelie Tjaden, Lukas Graetz, Florian A Büttner, Debra Dorotea , My Nguyen , Filip Bergqvist, Yvonne Sundström, Susanne Müller, Roman A Zubarev, Gunnar Schulte, Claudia Tredu, Roberto Gramignoli , Uwe J F Tietge , Volker M Lauschke
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Amide-to-ester substitution as a strategy for optimizing PROTAC permeability and cellular activity

Auteurs: Victoria G. Klein; Adam G. Bond; Conner Craigon; R. Scott Lokey; Alessio Ciulli
Publié dans: Journal of Medicinal Chemistry, Numéro 2, 2021, ISSN 0002-7863
Éditeur: American Chemical Society
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DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.

Auteurs: Strubel A, Münick P, Hartmann O, Chaikuad A, Dreier B, Schaefer JV, Gebel J, Osterburg C, Tuppi M, Schäfer B, Buck V, Rosenfeldt M, Knapp S, Plückthun A, Diefenbacher ME, Dötsch V.
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Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnel

Auteurs: Si Min Zhang, Cynthia BJ Paulin, Huazhang Shu, Miriam Yagüe-Capilla, Maurice Michel, Petra Marttila, Florian Ortis, Henri Colyn Bwanika, Christopher Dirks, Rajagopal Papagudi Venkatram, Elisée Wiita, Ann-Sofie Jemth, Ingrid Almlöf, Olga Loseva, Femke M Hormann, Tobias Koolmeister, Erika Linde, Sun Lee, Sabin Llona-Minguez, Martin Haraldsson, Hanna Axelsson, Kia Strömberg, Evert J Homan, Martin
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A Concerted Action of UBA5 C-Terminal Unstructured Regions Is Important for Transfer of Activated UFM1 to UFC1

Auteurs: Nicole Wesch, Frank Löhr, Natalia Rogova, Volker Dötsch, Vladimir V. Rogov
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Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.

Auteurs: Martin P. Schwalm , Andreas Krämer, Anja Dölle , Janik Weckesser, Xufen Yu , Jian Jin , Krishna Saxena, Stefan Knapp
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The MYC oncoprotein directly interacts with its chromatin cofactor PNUTS to recruit PP1 phosphatase.

Auteurs: Wei Y, Redel C, Ahlner A, Lemak A, Johansson-Ã…khe I, Houliston S, Kenney TMG, Tamachi A, Morad V, Duan S, Andrews DW, Wallner B, Sunnerhagen M, Arrowsmith CH, Penn LZ
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Small Molecule Screen Identifies Non-catalytic USP3 Chemical Handle.

Auteurs: Mann MK, Wolf E, Silva M, Kwak HA, Wilson B, Bolotokova A, Wilson DJ, Harding RJ, Schapira M.
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The Structure-Based Design of SARS-CoV-2 nsp14 Methyltransferase Ligands Yields Nanomolar Inhibitors.

Auteurs: Otava T, Å Ã¡la M, Li F, FanfrlÃ-k J, Devkota K, Perveen S, Chau I, Pakarian P, Hobza P, Vedadi M, Boura E, Nencka R
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Probe my Pathway (PmP): a portal to explore the chemical coverage of the human Reactome

Auteurs: Haejin Angela Kwak, Lihua Liu, Matthieu Schapira
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Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments

Auteurs: Martinelli P., Schaaf O., Mantoulidis A., Martin L., Fuchs JE., Bader G., Gollner A., Wolkerstorfer B., Rogers C., Balıkçı E., Lipp J., Mischerikow N., Doebel S., Gerstberger T., Sommergruber W., Huber KVM., Böttcher J.
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Mechanism of degrader-targeted protein ubiquitinability

Auteurs: Charlotte Crowe, Mark A. Nakasone, Sarah Chandler, Conner Craigon, Gajanan Sathe, Michael H. Tatham, Nikolai Makukhin, Ronald T. Hay, Alessio Ciulli
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Luciferase- and HaloTag-based reporter assays to measure small-molecule-induced degradation pathway in living cells

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In vitro and ex vivo modeling of enteric bacterial infections

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Single tracer-based protocol for broad-spectrum kinase profiling in live cells with NanoBRET

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Probing the CRL4DCAF12 interactions with MAGEA3 and CCT5 di-Glu C-terminal degrons

Auteurs: Germanna Righetto, Yanting Yin, David Duda, Victoria Vu, Magdalena Szewczyk, Hong Zeng, Yanjun Li, Peter Loppnau, Tony Mei, Yen-yen Li, Alma Seitova, Aaron Patrick, Jean-Francois Brazeau, Charu Chaudhry, Dalia Barsyte-Lovejoy, Vijayaratnam Santhakumar, Levon Halabelian.
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Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants

Auteurs: Xiaomin Ni, Allyn T. Londregan, Dafydd R. Owen, Stefan Knapp, Apirat Chaikuad
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Exploiting vulnerabilities of SWI/SNF chromatin remodelling complexes for cancer therapy

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Ternary Complex‐Templated Dynamic Combinatorial Chemistry for the Selection and Identification of Homo‐PROTACs

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From cultivation to cancer: formation of -nitrosamines and other carcinogens in smokeless tobacco and their mutagenic implications.

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Arginine ADP-Ribosylation: Chemical Synthesis of Post-Translationally Modified Ubiquitin Proteins

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Sequence and structural variations determining the recruitment of WNK kinases to the KLHL3 E3 ligase.

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Loss-of-function mutation in PRMT9 causes abnormal synapse development by dysregulation of RNA alternative splicing

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A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.

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Inhibiting EZH2 targets atypical teratoid rhabdoid tumor by triggering viral mimicry via both RNA and DNA sensing pathways

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Synthesis and Biological Evaluation of 2-Substituted Quinazolin-4(3)-Ones with Antiproliferative Activities

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"Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1"

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5-Iodotubercidin sensitizes cells to RIPK1-dependent necroptosis by interfering with NFκB signaling

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Unravelling the druggability and immunological roles of the SOCS-family proteins

Auteurs: Dylan M. Lynch, Beth Forrester, Thomas Webb, Alessio Ciulli
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Cellular shape reinforces niche to stem cell signaling in the small intestine

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Current Advances in CETSA

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LOPAC library screening identifies suramin as a TRIM21 binder with a unique binding mode revealed by crystal structure

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Structural Chemistry of Helicase Inhibition

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PRMT5 regulates ATF4 transcript splicing and oxidative stress response.

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Pharmacogenomics Beyond Single Common Genetic Variants: The Way Forward

Auteurs: Volker M. Lauschke, Yitian Zhou, and Magnus Ingelman-Sundberg
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The PB1 and the ZZ domain of the autophagy receptor p62/SQSTM1 regulate the interaction of p62/SQSTM1 with the autophagosome protein LC3B

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Structural and functional characterization of ubiquitin variant inhibitors for the JAMM-family deubiquitinases STAMBP and STAMBPL1.

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Discovery of potent Plasmodium falciparum protein kinase 6 (PfPK6) inhibitors with a type II inhibitor pharmacophore.

Auteurs: Ong HW, Truong A, Kwarcinski F, de Silva C, Avalani K, Havener TM, Chirgwin M, Galal KA, Willis C, Krämer A, Liu S, Knapp S, Derbyshire ER, Zutshi R, Drewry DH.
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From N-0385 to N-0920: Unveiling a Host-Directed Protease Inhibitor with Picomolar Antiviral Efficacy against Prevalent SARS-CoV-2 Variants

Auteurs: Gabriel Lemieux, Jimena Pérez-Vargas, Antoine Désilets, Malihe Hassanzadeh, Connor A. H. Thompson, Alice Gravel-Trudeau, Alexandre Joushomme, Siobhan Ennis, Ivan Villanueva, Étienne Marouseau, Bryan J. Fraser, William Champagne, Matthieu Lepage, Masahiro Niikura, Cheryl H. Arrowsmith, François Jean, Richard Leduc, Pierre-Luc Boudreault
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Inhibition of bromodomain and extra-terminal proteins targets constitutively active NFκB and STAT signaling in lymphoma and influences the expression of the antiapoptotic proteins BCL2A1 and c-MYC

Auteurs: Nadja M. Pieper, Julia Schnell, Daniela Bruecher, Stefan Knapp, Meike Vogler
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Novel biochemical, structural, and systems insights into inflammatory signaling revealed by contextual interaction proteomics.

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Chemical Starting Matter for HNF4α Ligand Discovery and Chemogenomics

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Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions.

Auteurs: Yu D, Horton JR, Yang J, Hajian T, Vedadi M, Sagum CA, Bedford MT, Blumenthal RM, Zhang X, Cheng X
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Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective

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PRMT5 promotes full-length HTT expression by repressing multiple proximal intronic polyadenylation sites

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Stopping pandemics before they start: Lessons learned from SARS-CoV-2

Auteurs: Edwards AM, Baric RS, Saphire EO, Ulmer JB
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Potent and selective SETDB1 covalent negative allosteric modulator reduces methyltransferase activity in cells

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A guide to selecting high-performing antibodies for Huntingtin (UniProt ID: P42858) for use in western blot, immunoprecipitation, and immunofluorescence

Auteurs: Rebeka Fanti, Riham Ayoubi, Charles Alende, Maryam Fotouhi, Sara González Bolívar, Renu Chandrasekaran, Kathleen Southern, Aled M. Edwards, Rachel J. Harding, Carl Laflamme, null null, null null
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A pro-Fluorescent Ubiquitin-based Probe to Monitor Cysteine-based E3 Ligase Activity

Auteurs: David Pérez Berrocal, Thimmalapura Vishwanatha, Daniel Horn Ghetko, Josephine Bosch, laura hehl, Sebastian Kostrhon, Mohit Misra, Ivan Dikic, Paul geurink, hans van dam, Brenda Schulman, Monique Priscilla Catharina Mulder
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Computational tools to assess the functional consequences of rare and noncoding pharmacogenetic variability

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Hepatic Inhibition of ANGPTL3 Mimics the Molecular Hallmarks of Hypothyroidism

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Phenomics‐Based Discovery of Novel Orthosteric Choline Kinase Inhibitors

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Binding Adaptation of GS-441524Diversifies Macro Domains and Down-regulates SARS-CoV-2 de-MARylationCapacity

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Chemogenomic Screening in a Patient‐Derived 3D Fatty Liver Disease Model Reveals the CHRM1‐TRPM8 Axis as a Novel Module for Targeted Intervention

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Pharmacogene Sequencing of a Gabonese Population with Severe Plasmodium falciparum Malaria Reveals Multiple Novel Variants with Putative Relevance for Antimalarial Treatment

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Emerging structure-based computational methods to screen the exploding accessible chemical space

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Discovery of Nedd4 auto-ubiquitination inhibitors

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A guide to selecting high-performing antibodies for TAF15 (UniProt ID: Q92804) for use in western blot, immunoprecipitation, and immunofluorescence

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A chemical probe to modulate human GID4 Pro/N-degron interactions

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Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPARγ Modulation

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Open resources for chemical probes and their implications for future drug discovery

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GLP-1R signaling neighborhoods associate with the susceptibility to adverse drug reactions of incretin mimetics.

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Toward effective Atg8-based ATTECs: Approaches and perspectives

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The Transcriptional Repressor Orphan Nuclear Receptor TLX Is Responsive to Caffeine and Istradefylline

Auteurs: Giuseppe Faudone, Whitney Kilu, Xiaomin Ni, Apirat Chaikuad, Sridhar Sreeramulu, Pascal Heitel, Harald Schwalbe, Stefan Knapp, Manfred Schubert-Zsilavecz, Jan Heering, Daniel Merk
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Colorectal cancer organoid-stroma biobank allows subtype-specific assessment of individualized therapy responses.

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Automated Determination of Nuclear Magnetic Resonance Chemical Shift Perturbations in Ligand Screening Experiments: The PICASSO Web Server

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Discovery of Conformationally Constrained ALK2 Inhibitors

Auteurs: Héctor González-Álvarez; Deeba Ensan; Tao Xin; Jong Fu Wong; Carlos A. Zepeda-Velázquez; Julien Cros; Melissa N. Sweeney; Laurent Hoffer; Taira Kiyota; Brian J. Wilson; Ahmed Aman; Owen Roberts; Methvin B. Isaac; Alex N. Bullock; David Smil; Rima Al-awar
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Image-Based Annotation of Chemogenomic Libraries for Phenotypic Screening

Auteurs: Tjaden A, Chaikuad A, Kowarz E, Marschalek R, Knapp S, Schröder M, Müller S.
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Organocatalytic Switches of DNA Glycosylase OGG1 Catalyze a Highly Efficient AP‐Lyase Function

Auteurs: Mario Kehler, Kaixin Zhou, Aurino M. Kemas, Alicia del Prado, Emma Scaletti Hutchinson, Elinor Hesslefors Nairn, Marek Varga, Yvonne Plattner, Yi Zhong, Oryn Purewal‐Sidhu, James Haslam, Elisée Wiita, Heather Gildie, Karolina Singerova, Zuzanna Szaruga, Ingrid Almlöf, Femke M. Hormann, Kang‐Cheng Liu, Olov Wallner, Florian Ortis, Evert J. Homan, Opher Gileadi, Sean G. Rudd, Pål Stenmark, Mi
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Auteurs: Merveille Eguida, Guillaume Bret, François Sindt, Fengling Li, Irene Chau, Suzanne Ackloo, Cheryl Arrowsmith, Albina Bolotokova, Pegah Ghiabi, Elisa Gibson, Levon Halabelian, Scott Houliston, Rachel J. Harding, Ashley Hutchinson, Peter Loppnau, Sumera Perveen, Almagul Seitova, Hong Zeng, Matthieu Schapira, Didier Rognan
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Advancing drug discovery through assay development: a survey of tool compounds within the human solute carrier superfamily

Auteurs: Daniela Digles, Alvaro Ingles-Prieto, Vojtech Dvorak, Tamara A. M. Mocking, Ulrich Goldmann, Andrea Garofoli, Evert J. Homan, Alberto Di Silvio, Lucia Azzollini, Francesca Sassone, Mario Fogazza, Felix Bärenz, Antje Pommereau, Yasmin Zuschlag, Jasper F. Ooms, Jeppe Tranberg-Jensen, Jesper S. Hansen, Josefina Stanka, Hubert J. Sijben, Helena Batoulis, Eckhard Bender, Riccardo Martini, Adriaan P. I
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The identification of high-performing antibodies for Vacuolar protein sorting-associated protein 35 (hVPS35) for use in Western Blot, immunoprecipitation and immunofluorescence

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Recruitment of FBXO22 for targeted degradation of NSD2

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Deep Annotation of Donated Chemical Probes (DCP) in Organotypic Human Liver Cultures and Patient-Derived Organoids from Tumor and Normal Colorectum

Auteurs: Claudia Tredup*, Benardina Ndreshkjana, Natalie S. Schneider, Amelie Tjaden, Aurino M. Kemas, Sonia Youhanna, Volker M. Lauschke, Benedict-Tilman Berger, Andreas Krämer, Lena M. Berger, Sandra Röhm, Stefan Knapp, Henner F. Farin, and Susanne Müller*
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Poly ADP-ribose signaling is dysregulated in Huntington disease

Auteurs: Tamara Maiuri, Carlos Barba Bazan, Rachel J. Harding, Nola Begeja, Tae-In Kam, Lauren M. Byrne, Filipe B. Rodrigues, Monica M. Warner, Kaitlyn Neuman, Muqtasid Mansoor, Mohsen Badiee, Morgan Dasovich, Keona Wang, Leslie M. Thompson, Anthony K. L. Leung, Sara N. Andres, Edward J. Wild, Ted M. Dawson, Valina L. Dawson, Cheryl H. Arrowsmith, Ray Truant
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Discovery of a 53BP1 Small Molecule Antagonist Using a Focused DNA-Encoded Library Screen

Auteurs: Devan J. Shell, Caroline A. Foley, Qinhong Wang, Chelsea M. Smith, Shiva K. R. Guduru, Hong Zeng, Aiping Dong, Jacqueline L. Norris-Drouin, Matthew Axtman, P. Brian Hardy, Gaorav Gupta, Levon Halabelian, Stephen V. Frye, Lindsey I. James, Kenneth H. Pearce
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LRRK2 dynamics analysis identifies allosteric control of the crosstalk between its catalytic domains

Auteurs: 9. Weng JH, Aoto PC, Lorenz R, Wu J, Schmidt SH, Manschwetus JT, Kaila-Sharma P, Silletti S, Mathea S, Chatterjee D, Knapp S, Herberg FW, Taylor SS.
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Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders

Auteurs: Alena Kroupova, Valentina A. Spiteri, Zoe J. Rutter, Hirotake Furihata, Darren Darren, Sarath Ramachandran, Sohini Chakraborti, Kevin Haubrich, Julie Pethe, Denzel Gonzales, Andre J. Wijaya, Maria Rodriguez-Rios, Manon Sturbaut, Dylan M. Lynch, William Farnaby, Mark A. Nakasone, David Zollman, Alessio Ciulli
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A covalent chemical probe for Chikungunya nsP2 cysteine protease with antialphaviral activity and proteome-wide selectivity

Auteurs: Anirban Ghoshal, Edwin G. Tse, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Eric M. Merten, John D. Sears, Stefanie Howell, Sumera Perveen, Jane Burdick, Noah L. Morales, Sabian A. Martinez, Isabella Law, Bennett J. Davenport, Thomas E. Morrison, Zachary J. Streblow, Daniel N. Streblow, Angie L. Mordant, Thomas S. Webb, Aurora Cabrera, Laura E. Herring, Cheryl H. Arrowsmith, Kenneth H. Pearc
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Bioengineered Pancreas–Liver Crosstalk in a Microfluidic Coculture Chip Identifies Human Metabolic Response Signatures in Prediabetic Hyperglycemia

Auteurs: Zandi Shafagh, R., Youhanna, S., Keulen, J., Shen, J.X., Taebnia, N., Preiss, L.C., Klein, K., Büttner, F., Bergqvist, M., van der Wijngaart, W., Lauschke, V.M
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The Small-Molecule Inhibitor MRIA9 Reveals Novel Insights into the Cell Cycle Roles of SIK2 in Ovarian Cancer Cells

Auteurs: Monika Raab, Marcel Rak, Roberta Tesch, Khayal Gasimli, Sven Becker, Stefan Knapp, Klaus Strebhardt, Mourad Sanhaji
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Discovery of a Potent, Selective, and Cell-Active SPIN1 Inhibitor

Auteurs: Yan Xiong, Holger Greschik, Catrine Johansson, Ludwig Seifert, Vicki Gamble, Kwang-su Park, Vincent Fagan, Fengling Li, Irene Chau, Masoud Vedadi, Cheryl H. Arrowsmith, Paul Brennan, Oleg Fedorov, Manfred Jung, Gillian Farnie, Jing Liu, Udo Oppermann, Roland Schüle, Jian Jin
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Chemical coverage of human biological pathways

Auteurs: Haejin Angela Kwak, Lihua Liu, Claudia Tredup, Sandra Röhm, Panagiotis Prinos, Jark Böttcher, Matthieu Schapira
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Nudix hydrolase 18 catalyzes the hydrolysis of active triphosphate metabolites of the antivirals remdesivir, ribavirin, and molnupiravir

Auteurs: Ann-Sofie Jemth1, Emma Rose Scaletti, Evert Homan, Pål Stenmark, Thomas Helleday, and Maurice Michel
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PRMT7 ablation stimulates anti-tumor immunity and sensitizes melanoma to immune checkpoint blockade.

Auteurs: Srour N, Villarreal OD, Hardikar S, Yu Z, Preston S, Miller WH, Szewczyk MM, Barsyte-Lovejoy D, Xu H, Chen T, Del RincÃ³n SV, Richard S
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The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

Auteurs: Barbara Zdrazil; Eloy Felix; Fiona Hunter; Emma J Manners; James Blackshaw; Sybilla Corbett; Marleen de Veij; Harris Ioannidis; David Mendez Lopez; Juan F Mosquera; Maria Paula Magarinos; Nicolas Bosc; Ricardo Arcila; Tevfik Kizilören; Anna Gaulton; A Patrícia Bento; Melissa F Adasme; Peter Monecke; Gregory A Landrum; Andrew R Leach
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Phosphorylation-linked complex profiling identifies assemblies required for Hippo signal integration

Auteurs: Federico Uliana, Rodolfo Ciuffa, Ranjan Mishra, Andrea Fossati, Fabian Frommelt, Sabrina Keller, Martin Mehnert, Eivind Salmorin Birkeland, Frank van Drogen, Nevena Srejic, Matthias Peter, Nicolas Tapon, Ruedi Aebersold, Matthias Gstaiger
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Discovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK

Auteurs: Michael Forster, Xiaojun Julia Liang, Martin Schröder, Stefan Gerstenecker, Apirat Chaikuad, Stefan Knapp, Stefan Laufer, Matthias Gehringer
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A patent review of von Hippel-Lindau (VHL)-recruiting chemical matter: E3 ligase ligands for PROTACs and targeted protein degradation (2019–present)

Auteurs: Aina Urbina, Alex J. Hallatt, Jack Robertson, Alessio Ciulli
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Two FAM134B isoforms differentially regulate ER dynamics during myogenesis

Auteurs: Viviana Buonomo, Kateryna Lohachova, Alessio Reggio, Sara Cano-Franco, Michele Cillo, Lucia Santorelli, Rossella Venditti, Elena Polishchuk, Ivana Peluso, Lorene Brunello, Carmine Cirillo, Sara Petrosino, Malan Silva, Rossella De Cegli, Sabrina Di Bartolomeo, Cesare Gargioli, Paolo Swuec, Mirko Cortese, Alexandra Stolz, Ramachandra M Bhaskara, Paolo Grumati
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Toward target 2035: EUbOPEN - a public–private partnership to enable & unlock biology in the open

Auteurs: Claudia Tredup, Suzanne Ackloo, Hartmut Beck, Peter J. Brown, Alex N. Bullock, Alessio Ciulli, Ivan Dikic, Kristina Edfeldt, Aled M. Edwards, Jonathan M. Elkins, Henner F. Farin, Edward A. Fon, Matthias Gstaiger, Judith Günther, Anna-Lena Gustavsson, Sandra Häberle, Laura Isigkeit, Kilian V. M. Huber, Andras Kotschy, Oliver Krämer, Andrew R. Leach, Brian D. Marsden, Hisanori Matsui, Daniel Merk
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Non-alcoholic fatty liver disease - opportunities for personalized treatment and drug development

Auteurs: Kemas, A.M., Youhanna, S. Lauschke, V.M.
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Kinetic characterization of human mRNA guanine-N7 methyltransferase

Auteurs: Sumera Perveen, Aliakbar Khalili Yazdi, Taraneh Hajian, Fengling Li, and Masoud Vedadi
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Reprogramming Transcription Factors Oct4 and Sox2 Induce a BRD-Dependent Immunosuppressive Transcriptome in GBM-Propagating Cells.

Auteurs: Ma T, Hu C, Lal B, Zhou W, Ma Y, Ying M, Prinos P, QuiÃ±ones-Hinojosa A, Lim M, Laterra J, Li Y
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A Toolbox for the Generation of Chemical Probes for Baculovirus IAP Repeat Containing Proteins

Auteurs: Schwalm MP, Berger LM, Meuter MN, Vasta JD, Corona CR, Röhm S, Berger BT, Farges F, Beinert SM, Preuss F, Morasch V, Rogov VV, Mathea S, Saxena K, Robers MB, Müller S, Knapp S.
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PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands

Auteurs: Simon I.A., Homan E.J., Wijtmans M., Sundström M., Leurs R., De Esch I.J.P., Zarzycka B.A.
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RAS and PP2A activities converge on epigenetic gene regulation.

Auteurs: Aakula A, Sharma M, Tabaro F, NÃ¤tkin R, Kamila J, Honkanen H, Schapira M, Arrowsmith C, Nykter M, Westermarck J
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Trends in kinase drug discovery: targets, indications and inhibitor design.

Auteurs: 39. Attwood MM, Fabbro D, Sokolov AV, Knapp S, Schiöth HB
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3D Adipose Tissue Culture Links the Organotypic Microenvironment to Improved Adipogenesis

Auteurs: Joanne X. Shen, Morgane Couchet, Jérémy Dufau, Thais de Castro Barbosa, Maximilian H. Ulbrich, Martin Helmstädter, Aurino M. Kemas, Reza Zandi Shafagh, Marie‐Adeline Marques, Jacob B. Hansen, Niklas Mejhert, Dominique Langin, Mikael Rydén, Volker M. Lauschke
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The Chemical Probes Portal: an expert review-based public resource to empower chemical probe assessment, selection and use

Auteurs: Antolin AA, Sanfelice D, Crisp A, Villasclaras Fernandez E, Mica IL, Chen Y, Collins I, Edwards A, Müller S, Al-Lazikani B, Workman P.
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PharmVar GeneFocus: CYP2B6

Auteurs: Zeruesenay Desta, Ahmed El‐Boraie, Li Gong, Andrew A Somogyi, Volker M. Lauschke, Collet Dandara, Kathrin Klein, Neil A. Miller, Teri E. Klein, Rachel F. Tyndale, Michelle Whirl‐Carrillo, Andrea Gaedigk
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Discovery of XL01126: A Potent, Fast, Cooperative, Selective, Oral bioavailable and Blood Brain Barrier Penetrant PROTAC Degrader of Leucine Rich Repeat Kinase 2 (LRRK2)

Auteurs: Xingui Liu; Alexia Kalogeropulou; Sofia Domingos; Nikolai Makukhin; Raja Nirujogi; Francois Singh; Natalia Shpiro; Anton Saalfrank; Esther Sammler; Ian Ganley; Rui Moreira; Dario Alessi; Alessio Ciulli
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3D microperfusion of mesoscale human microphysiological liver models improves functionality and recapitulates hepatic zonation

Auteurs: Milan Finn Wesseler, Nayere Taebnia, Sean Harrison, Sonia Youhanna, Lena C Preiss, Aurino M Kemas, Akos Vegvari, Jaroslav Mokry, Gareth J Sullivan, Volker M Lauschke, Niels B Larsen
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Organotypic human ex vivo models for coronavirus disease 2019 research and drug development

Auteurs: Sonia Youhanna, Shane C. Wright, Volker M. Lauschke
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Development of Peptide Displacement Assays to Screen for Antagonists of DDB1 Interactions

Auteurs: Darren Yong, Shabbir Ahmad, Mark F. Mabanglo, Levon Halabelian, Matthieu Schapira, Suzanne Ackloo, Sumera Perveen, Pegah Ghiabi, Masoud Vedadi
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Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.

Auteurs: Kim TE, Tsuboyama K, Houliston S, Martell CM, Phoumyvong CM, Lemak A, Haddox HK, Arrowsmith CH, Rocklin GJ
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Illumination of understudied ciliary kinases

Auteurs: Raymond G Flax, Peter Rosston, Cecilia Rocha, Brian Anderson, Jacob L Capener, Thomas M Durcan, David H Drewry, Panagiotis Prinos and Alison D Axtman.
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Huntingtin is an RNA binding protein and participates in NEAT1 -mediated paraspeckles

Auteurs: Manisha Yadav, Rachel J. Harding, Tiantian Li, Xin Xu, Terence Gall-Duncan, Mahreen Khan, Costanza Ferrari Bardile, Glen L. Sequiera, Shili Duan, Renu Chandrasekaran, Anni Pan, Jiachuan Bu, Tomohiro Yamazaki, Tetsuro Hirose, Panagiotis Prinos, Lynette Tippett, Clinton Turner, Maurice A. Curtis, Richard L.M. Faull, Mahmoud A. Pouladi, Christopher E. Pearson, Housheng Hansen He, Cheryl H. Arrowsmith
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Structural basis of TMPRSS11D specificity and autocleavage activation

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Antecedent chromatin organization determines cGAS recruitment to ruptured micronuclei.

Auteurs: MacDonald KM, Nicholson-Puthenveedu S, Tageldein MM, Khasnis S, Arrowsmith CH, Harding SM
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Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders

Auteurs: Anja Dölle, Bikash Adhikari, Andreas Krämer, Janik Weckesser, Nicola Berner, Lena-Marie Berger, Mathias Diebold, Magdalena M. Szewczyk, Dalia Barsyte-Lovejoy, Cheryl H. Arrowsmith, Jakob Gebel, Frank Löhr, Volker Dötsch, Martin Eilers, Stephanie Heinzlmeir, Bernhard Kuster, Christoph Sotriffer, Elmar Wolf, Stefan Knapp
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The genetic landscape of major drug metabolizing cytochrome P450 genes—an updated analysis of population-scale sequencing data

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Practice guidance documents for the diagnosis and management of non-alcoholic fatty liver disease—recent updates and open questions

Auteurs: Volker M. Lauschke
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3D human liver spheroids for translational pharmacology and toxicology

Auteurs: Magnus Ingelman‐Sundberg, Volker M. Lauschke
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Trivalent PROTACs enhance protein degradation via combined avidity and cooperativity

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Population pharmacogenomics: an update on ethnogeographic differences and opportunities for precision public health

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Aurora Kinase A Is Involved in Controlling the Localization of Aquaporin-2 in Renal Principal Cells

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Critical assessment of LC3/GABARAP ligands used for degrader development and ligandability of LC3/GABARAP binding pockets

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A consensus platform for antibody characterization

Auteurs: Riham Ayoubi, Joel Ryan, Sara Gonzalez Bolivar, Charles Alende, Vera Ruiz Moleon, Maryam Fotouhi, Mona Alqazzaz, Kathleen Southern, Walaa Alshafie, Matt R. Baker, Alexander R. Ball, Danielle Callahan, Jeffery A. Cooper, Katherine Crosby, Kevin J. Harvey, Douglas W. Houston, Ravindran Kumaran, Meghan Rego, Christine Schofield, Hai Wu, Michael S. Biddle, Claire M. Brown, Richard A. Kahn, Anita Bandr
Publié dans: Nature Protocols, Numéro 20, 2025, Page(s) 1509-1545, ISSN 1754-2189
Éditeur: Nature Publishing Group
DOI: 10.1038/s41596-024-01095-8

Development of Inhibitors, Probes, and PROTAC Provides a Complete Toolbox to Study PARK7 in the Living Cell

Auteurs: Yuqing Jia, Merve Oyken, Robbert Q. Kim, Rayman T.N. Tjokrodirijo, Arnoud H. de Ru, Antonius P. A. Janssen, Stephan M. Hacker, Peter A. van Veelen, Paul P. Geurink, Aysegul Sapmaz
Publié dans: Journal of Medicinal Chemistry, Numéro 67, 2024, Page(s) 7935-7953, ISSN 0022-2623
Éditeur: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c02410

Nucelotide Binding, Evolutionary Insights and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4

Auteurs: Preuss, F.; Knapp,S.; Chatterjee,D.; Mathea,S.; Shrestha,S.; St-Germain,J.; Saha, S.; Kannan, N.; Raught,B.; Rottapel, R.
Publié dans: Structure, 2020, ISSN 0969-2126
Éditeur: Cell Press
DOI: 10.1016/j.str.2020.07.016

ALK2 Receptor Kinase Association with FKBP12.6 Is Structurally Conserved with the ALK2-FKBP12 Complex

Auteurs: Eleanor Williams, Elise Riesebos, Georgina Kerr, Alex N. Bullock
Publié dans: Biomedicines, Numéro 9/2, 2021, Page(s) 129, ISSN 2227-9059
Éditeur: MDPI
DOI: 10.3390/biomedicines9020129

Calcium measurements in enzymatically dissociated or mechanically microdissected mouse primary skeletal muscle fibers

Auteurs: Youhanna S, Bruton J, Jardemark K, Westerblad H, Lauschke VM
Publié dans: STAR protocols, 2023, ISSN 2666-1667
Éditeur: Cell Press
DOI: 10.1016/j.xpro.2023.102260

Targeting TRIM Proteins: A Quest towards Drugging an Emerging Protein Class

Auteurs: Francesca D'Amico, Rishov Mukhopadhyay, Huib Ovaa, Monique P. C. Mulder
Publié dans: ChemBioChem, 2021, ISSN 1439-4227
Éditeur: John Wiley & Sons Ltd.
DOI: 10.1002/cbic.202000787

Phosphorylation of the DNA repair scaffold SLX4drives folding of the SAP domain and activation of theMUS81-EME1 endonucleas

Auteurs: Payliss BJ, Tse YWE, Reichheld SE, Lemak A, Yun HY, Houliston S, Patel A, Arrowsmith CH, Sharpe S, Wyatt HDM
Publié dans: Cell Reports, 2022, ISSN 2211-1247
Éditeur: Cell Press
DOI: 10.1016/j.celrep.2022.111537

Autoinhibition of ubiquitin-specific protease 8: Insights into domain interactions and mechanisms of regulation

Auteurs: Cody Caba, Megan Black, Yujue Liu, Ashley A. DaDalt, Josh Mallare, Lixin Fan, Rachel J. Harding, Yun-Xing Wang, Panayiotis O. Vacratsis, Rui Huang, Zhihao Zhuang, Yufeng Tong
Publié dans: Journal of Biological Chemistry, Numéro 300, 2025, Page(s) 107727, ISSN 0021-9258
Éditeur: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2024.107727

The use of a multi-metric readout screen to identify EHMT2/G9a-inhibition as a modulator of cancer-associated fibroblast activation state

Auteurs: Nila C. Wu, Rene Quevedo, Michelle Nurse, Kebria Hezaveh, Haijiao Liu, Fumao Sun, Julien Muffat, Yu Sun, Craig A. Simmons, Tracy L. McGaha, Panagiotis Prinos, Cheryl H. Arrowsmith, Laurie Ailles, Elisa D'Arcangelo, Alison P. McGuigan
Publié dans: Biomaterials, Numéro 314, 2024, Page(s) 122879, ISSN 0142-9612
Éditeur: Pergamon Press Ltd.
DOI: 10.1016/j.biomaterials.2024.122879

JAK inhibition reduces SARS-CoV-2 liver infectivity and modulates inflammatory responses to reduce morbidity and mortality

Auteurs: Justin Stebbing, Ginés Sánchez Nievas, Marco Falcone, Sonia Youhanna, Peter Richardson, Silvia Ottaviani, Joanne X. Shen, Christian Sommerauer, Giusy Tiseo, Lorenzo Ghiadoni, Agostino Virdis, Fabio Monzani, Luis Romero Rizos, Francesco Forfori, Almudena Avendaño Céspedes, Salvatore De Marco, Laura Carrozzi, Fabio Lena, Pedro Manuel Sánchez-Jurado, Leonardo Gianluca Lacerenza, Nencioni Cesira,
Publié dans: Science Advances, Numéro 7/1, 2021, Page(s) eabe4724, ISSN 2375-2548
Éditeur: Science
DOI: 10.1126/sciadv.abe4724

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

Auteurs: Ackloo S, Al-awar R, Amaro RE, Arrowsmith CH, Azevedo H, Batey RA, et al.
Publié dans: Nat Rev Chem, 2022, ISSN 1755-4330
Éditeur: Nature Publishing Group
DOI: 10.1038/s41570-022-00363-z

Interplay between β-propeller subunits WDR26 and muskelin regulates the CTLH E3 ligase supramolecular complex

Auteurs: Matthew E. R. Maitland, Gabriel Onea, Dominic D. G. Owens, Brianna C. Gonga-Cavé, Xu Wang, Cheryl H. Arrowsmith, Dalia Barsyte-Lovejoy, Gilles A. Lajoie, Caroline Schild-Poulter
Publié dans: Communications Biology, Numéro 7, 2024, Page(s) Communications Biology, ISSN 2399-3642
Éditeur: Springer Science and Business Media LLC
DOI: 10.1038/s42003-024-07371-3

Leveraging Dual-Ligase Recruitment to Enhance Protein Degradation via a Heterotrivalent Proteolysis Targeting Chimera

Auteurs: Adam G. Bond, Miquel Muñoz i Ordoño, Celia M. Bisbach, Conner Craigon, Nikolai Makukhin, Elizabeth A. Caine, Manjula Nagala, Marjeta Urh, Georg E. Winter, Kristin M. Riching, Alessio Ciulli
Publié dans: Journal of the American Chemical Society, Numéro 146, 2024, Page(s) 33675-33711, ISSN 0002-7863
Éditeur: American Chemical Society
DOI: 10.1021/jacs.4c11556

Crimean-Congo haemorrhagic fever virus uses LDLR to bind and enter host cells.

Auteurs: Monteil VM, Wright SC, Dyczynski M, Kellner MJ, Appelberg S, Platzer SW, Ibrahim A, Kwon H, Pittarokoilis I, Mirandola M, Michlits G, Devignot S, Elder E, Abdurahman S, Bereczky S, Bagci B, Youhanna S, Aastrup T, Lauschke VM, Salata C, Elaldi N, Weber F, Monserrat N, Hawman DW, Feldmann H, Horn M, Penninger JM, Mirazimi A.
Publié dans: Nat Microbiol., 2024, ISSN 2058-5276
Éditeur: Nature
DOI: 10.1038/s41564-024-01672-3

Structural basis of the TAM domain of BAZ2A in binding toDNA or RNA independent of methylation status

Auteurs: Chen S, Zhou M, Dong A, Loppnau P, Wang M, Min J, Liu K
Publié dans: J Biol Chem, 2021, ISSN 0021-9258
Éditeur: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2021.101351

PRMT1 inhibition perturbs RNA metabolism and induces DNA damage in clear cell renal cell carcinoma

Auteurs: Joseph Walton, Angel S. N. Ng, Karen Arevalo, Anthony Apostoli, Jalna Meens, Christina Karamboulas, Jonathan St-Germain, Panagiotis Prinos, Julia Dmytryshyn, Eric Chen, Cheryl H. Arrowsmith, Brian Raught, Laurie Ailles
Publié dans: Nature Communications, Numéro 15, 2024, ISSN 2041-1723
Éditeur: Nature Publishing Group
DOI: 10.1038/s41467-024-52507-y

Cellular Validation of a Chemically Improved Inhibitor Identifies Monoubiquitination on OTUB2

Auteurs: Jin Gan, Jelle de Vries, Jimmy J. L. L. Akkermans, Yassene Mohammed, Rayman T. N. Tjokrodirijo, Arnoud H. de Ru, Robbert Q. Kim, David A. Vargas, Vito Pol, Rudi Fasan, Peter A. van Veelen, Jacques Neefjes, Hans van Dam, Huib Ovaa, Aysegul Sapmaz,* and Paul P. Geurink*
Publié dans: ACS Chem. Biol., 2023, ISSN 0002-7863
Éditeur: American Chemical Society
DOI: 10.1021/acschembio.3c00227

JAK Inhibitors — More Than Just Glucocorticoids

Auteurs: Justin Stebbing, Volker M. Lauschke
Publié dans: New England Journal of Medicine, Numéro 385/5, 2021, Page(s) 463-465, ISSN 0028-4793
Éditeur: Massachusetts Medical Society
DOI: 10.1056/nejme2108667

DNA double-strand break-derived RNA drives TIRR/53BP1 complex dissociation

Auteurs: Ketley RF., Battistini F., Alagia A., Mondielli C., Iehl F., Balikçi E., Huber KVM., Orozco M., Gullerova M.
Publié dans: Cell Reports, 2022, ISSN 2211-1247
Éditeur: Cell Press
DOI: 10.1016/j.celrep.2022.111526

Development of potent dual BET/HDAC inhibitorsviapharmacophore merging and structure-guided optimization

Auteurs: Nicolas Bauer; Dimitrios-Ilias Balourdas; Joel R. Schneider; Xin Zhang; Lena M. Berger; Benedict-Tilman Berger; Nick A. Klopp; Jens T. Siveke; Stefan Knapp; Andreas C. Joerger
Publié dans: Crossref, Numéro 5, 2023, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.07.18.547334

Potent and Selective SETDB1 Covalent Negative Allosteric Modulator Reduces Methyltransferase Activity in Cells

Auteurs: Mélanie Uguen, Devan J. Shell, Madhushika Silva, Yu Deng, Fengling Li, Magdalena M. Szewczyk, Ka Yang, Yani Zhao, Michael A. Stashko, Jacqueline L. Norris-Drouin, Jarod M. Waybright, Serap Beldar, Justin M. Rectenwald, Angie L. Mordant, Thomas S. Webb, Laura E. Herring, Cheryl H. Arrowsmith, Suzanne Ackloo, Steven P. Gygi, Robert K. McGinty, Dalia Barsyte-Lovejoy, Pengda Liu, Levon Halabelian, Li
Publié dans: Biorxiv, 2025, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.09.27.615363

Editorial: Beyond protein degradation and lysine modification: novel insights into non-canonical ubiquitination

Auteurs: Aysegul Sapmaz, Jin Gan, Darragh P. O’Brien, Adán Pinto-Fernández
Publié dans: Frontiers in Molecular Biosciences, Numéro 11, 2024, ISSN 2296-889X
Éditeur: Frontiers Media SA
DOI: 10.3389/fmolb.2024.1461356

Enantioselective Protein Affinity Selection Mass Spectrometry (E-ASMS)

Auteurs: Xiaoyun Wang, Jianxian Sun, Shabbir Ahmad, Diwen Yang, Fengling Li, U Hang Chan, Hong Zeng, Conrad V. Simoben, Stuart R. Green, Madhushika Silva, Scott Houliston, Aiping Dong, Albina Bolotokova, Elisa Gibson, Maria Kutera, Pegah Ghiabi, Ivan Kondratov, Tetiana Matviyuk, Alexander Chuprina, Danai Mavridi, Christopher Lenz, Andreas C. Joerger, Benjamin D. Brown, Richard B. Heath, Wyatt W. Yue, Lucy
Publié dans: BioRXiv, 2025, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.01.17.633682

Systematic comparison of dCas9-based DNA methylation epimodifiers over time indicates efficient on-target and widespread off-target effects

Auteurs: Majid Pahlevan Kakhki, Fatemeh Rangani, Ewoud Ewing, Chiara Starvaggi Cucuzza, Galina Zheleznyakova, Maria Kalomoiri, Tejaswi Venkata S. Badam, Ruxandra Covacu, Ioanna Andreou, Maria Needhamsen, Lara Kular, Maja Jagodic
Publié dans: Biorxiv, 2025, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.03.15.641804

High-throughput protein target mapping enables accelerated bioactivity discovery for ToxCast and PFAS compounds

Auteurs: Diwen Yang, Xiaoyun Wang, Jiabao Liu, Yufeng Gong, Pranav Nair, Jianxian Sun, Xing Qian, Claire Cui, Hong Zeng, Aiping Dong, Rachel J. Harding, Nicola Burgess-Brown, Tyler S. Beyett, Datong Song, Henry Krause, Miriam L. Diamond, Derek L. Bolhuis, Nicholas G. Brown, Cheryl H. Arrowsmith, Aled M. Edwards, Levon Halabelian, Hui Peng
Publié dans: bioRxiv, 2025, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.03.20.644436

Discovery of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach

Auteurs: Eric M. Merten, John D. Sears, Tina M. Leisner, Paul B. Hardy, Anirban Ghoshal, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Peter J. Brown, Michael A. Stashko, Laura Herring, Angie L. Mordant, Thomas S. Webb, Christine A. Mills, Natalie K. Barker, Zachary J. Streblow, Sumera Perveen, Cheryl Arrowsmith, Jamie J. Arnold, Craig E Cameron, Daniel N. Streblow, Nathaniel J. Moorman, Mark Heise, T
Publié dans: Biorxiv, 2024, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.03.22.586341

Large-scale discovery, analysis, and design of protein energy landscapes

Auteurs: Állan J. R. Ferrari, Sugyan M. Dixit, Jane Thibeault, Mario Garcia, Scott Houliston, Robert W. Ludwig, Pascal Notin, Claire M. Phoumyvong, Cydney M. Martell, Michelle D. Jung, Kotaro Tsuboyama, Lauren Carter, Cheryl H. Arrowsmith, Miklos Guttman, Gabriel J. Rocklin
Publié dans: bioRxiv, 2025, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.03.20.644235

k-Nearest Neighbour Adaptive Sampling (kNN-AS), a Simple Tool to Efficiently Explore Conformational Space

Auteurs: Evianne Rovers, Anvith Thudi, Chris Maddison, Matthieu Schapira
Publié dans: bioRxiv, Numéro bioRxiv, 2025, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.03.05.641673

Recruitment of FBXO22 for Targeted Degradation of NSD2

Auteurs: avid Y. Nie, John R. Tabor, Jianping Li, Maria Kutera, Jonathan St-Germain, Ronan P. Hanley, Esther Wolf, Ethan Paulakonis, Tristan M.G. Kenney, Shili Duan, Suman Shrestha, Dominic D.G. Owens, Ailing Pon, Magdalena Szewczyk, Anthony Joseph Lamberto, Michael Menes, Fengling Li, Dalia Barsyte-Lovejoy, Nicholas G. Brown, Anthony M. Barsotti, Andrew W. Stamford, Jon L. Collins, Derek J. Wilson, Brian
Publié dans: Biorxiv, 2024, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.11.01.564830

A Covalent Chemical Probe for Chikungunya nsP2 Cysteine Protease with Antialphaviral Activity and Proteome-wide Selectivity

Auteurs: Timothy Willson, Anirban Ghoshal, Edwin Tse, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Eric Merten, John Sears, Stefanie Howell, Sumers Perveen, Jane Burdick, Noah Morales, Sabian Martinez, Isabella Law, Davenport Bennett, Thomas Morrison, Zachary Strebblow, Daniel Streblow, Angie Mordant, Thomas Webb, Aurora Cabrera, Laura Herring, Cheryl Arrowsmith, Kenneth Pearce, Nathaniel Moorman, Ma
Publié dans: Research Square, 2024, ISSN 2693-5015
Éditeur: Research Sqare
DOI: 10.21203/rs.3.rs-5363451/v1

Probing the mechanism of Cbl-b inhibition by a small molecule inhibitor

Auteurs: Serah Kimani, Sumera Perveen, Magdalena Szewezyk, Hong Zeng, Aiping Dong, Fengling Li, Pegah Ghiabi, Yanjun Li, Irene Chau, Cheryl Arrowsmith, Dalia Barsyte-Lovejoy, Vijayaratnam Santhakumar*, Masoud Vedadi, Levon Halabelian*
Publié dans: Biorxiv, 2023, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.05.05.539612

Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors ofChikungunyansP2 Cysteine Protease with Anti-alphavirus Activity

Auteurs: Anirban Ghoshal, Kesatebrhan Haile Asressu, Mohammad Anwar Hossain, Peter J. Brown, Eric M. Merten, John D. Sears, Sumera Perveen, Kenneth H. Pearce, Konstantin I. Popov, Nathaniel J. Moorman, Mark T. Heise, Timothy M. Willson
Publié dans: Biorxiv, 2024, ISSN 2692-8205
Éditeur: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.06.12.598722

Rewiring of catecholamine-induced calcium signalling is an early event in non-alcoholic fatty liver disease

Auteurs: Shane C. Wright, Volker M. Lauschke
Publié dans: The Journal of Physiology, 2023
Éditeur: Wiley-Blackwell
DOI: 10.1113/jp284526

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