Fast yet accurate routine rational design of novel enzymes

Informazioni relative al progetto

FASTEN

ID dell’accordo di sovvenzione: 101088032

DOI

10.3030/101088032

Data della firma CE 27 Febbraio 2023

Data di avvio 1 Ottobre 2023

Data di completamento 30 Settembre 2028

Finanziato da

• European Research Council (ERC)

Costo totale

€ 1 996 250,00

Contributo UE

€ 1 996 250,00

Coordinato da

UNIVERSITAT DE GIRONA
Spain

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Pubblicazioni

Peer reviewed articles (17)

Of Revolutions and Roadblocks: The Emerging Role of Machine Learning in Biocatalysis

Autori: Tobias Vornholt, Peter Stockinger, Mojmír Mutný, Markus Jeschek, Bettina Nestl, Gustav Oberdorfer, Silvia Osuna, Jürgen Pleiss, Ditte Hededam Welner, Andreas Krause, Rebecca Buller, Thomas R. Ward
Pubblicato in: ACS Central Science, Numero 11, 2025, ISSN 2374-7943
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACSCENTSCI.5C00949

Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary <i>In Silico</i> Approaches Based on Unbiased Molecular Dynamics Simulations

Autori: Matteo Castelli, Filippo Marchetti, Sílvia Osuna, A. Sofia F. Oliveira, Adrian J. Mulholland, Stefano A. Serapian, Giorgio Colombo
Pubblicato in: Journal of the American Chemical Society, Numero 146, 2024, ISSN 0002-7863
Editore: American Chemical Society (ACS)
DOI: 10.1021/JACS.3C11396

Divergent Oxidation Reactions of <i>E</i>‐ and <i>Z</i>‐Allylic Primary Alcohols by an Unspecific Peroxygenase

Autori: Jiacheng Li, Cristina Duran, Balázs Pogrányi, Katy A. S. Cornish, Jared Cartwright, Sílvia Osuna, William P. Unsworth, Gideon Grogan
Pubblicato in: Angewandte Chemie International Edition, Numero 64, 2025, ISSN 1433-7851
Editore: Wiley
DOI: 10.1002/ANIE.202422241

Evolution Enhances Kemp Eliminase Activity by Optimizing Oxyanion Stabilization and Conformational Flexibility

Autori: Hiva Doustmohammadi, Janet Sanchez, Dhani Ram Mahato, Sílvia Osuna
Pubblicato in: Chemistry – A European Journal, Numero 31, 2025, ISSN 0947-6539
Editore: Wiley
DOI: 10.1002/CHEM.202403747

Shortest Path Map correlation-based tool for capturing functionally relevant allosteric networks and its application in enzyme design

Autori: Esther Pruna Cortada, Sílvia Osuna
Pubblicato in: Comptes Rendus. Chimie, Numero 28, 2025, ISSN 1631-0748
Editore: Cellule MathDoc/Centre Mersenne
DOI: 10.5802/CRCHIM.389

A naturally occurring standalone <scp>TrpB</scp> enzyme provides insights into allosteric communication within tryptophan synthase

Autori: Thomas Kinateder, Lukas Drexler, Cristina Duran, Sílvia Osuna, Reinhard Sterner
Pubblicato in: Protein Science, Numero 34, 2025, ISSN 0961-8368
Editore: Wiley
DOI: 10.1002/PRO.70103

Distal mutations enhance catalysis in designed enzymes by facilitating substrate binding and product release

Autori: Niayesh Zarifi, Pooja Asthana, Hiva Doustmohammadi, Cindy Klaus, Janet Sanchez, Serena E. Hunt, Rojo V. Rakotoharisoa, Sílvia Osuna, James S. Fraser, Roberto A. Chica
Pubblicato in: Nature Communications, Numero 16, 2025, ISSN 2041-1723
Editore: Springer Science and Business Media LLC
DOI: 10.1038/S41467-025-63802-7

Interplay Between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases

Autori: Francesca Peccati, Elizabeth L. Noey, K. N. Houk, Silvia Osuna, Gonzalo Jiménez‐Osés
Pubblicato in: ChemCatChem, Numero 16, 2025, ISSN 1867-3880
Editore: Wiley
DOI: 10.1002/CCTC.202400444

Harnessing conformational dynamics in enzyme catalysis to achieve nature-like catalytic efficiencies: the shortest path map tool for computational enzyme redesign

Autori: Cristina Duran, Guillem Casadevall, Sílvia Osuna
Pubblicato in: Faraday Discussions, Numero 252, 2024, ISSN 1359-6640
Editore: Royal Society of Chemistry (RSC)
DOI: 10.1039/D3FD00156C

The shortest path method (SPM) webserver for computational enzyme design

Autori: Guillem Casadevall, Jordi Casadevall, Cristina Duran, Sílvia Osuna
Pubblicato in: Protein Engineering, Design and Selection, Numero 37, 2024, ISSN 1741-0126
Editore: Oxford University Press (OUP)
DOI: 10.1093/PROTEIN/GZAE005

Expanding the Repertoire of Photoswitchable Unnatural Amino Acids for Enzyme Engineering

Autori: Caroline Hiefinger, Michela Marcon, Verena Pape, Guillem Casadevall, Ranit Lahmy, Christoph Haag, Julian Nazet, Michael Bartl, Astrid Bruckmann, Sílvia Osuna, Burkhard König, Andrea Hupfeld
Pubblicato in: Angewandte Chemie International Edition, Numero 64, 2025, ISSN 1433-7851
Editore: Wiley
DOI: 10.1002/ANIE.202508562

A Dynamic Loop in Halohydrin Dehalogenase HheG Regulates Activity and Enantioselectivity in Epoxide Ring Opening

Autori: Marcel Staar, Lina Ahlborn, Miquel Estévez-Gay, Katharina Pallasch, Sílvia Osuna, Anett Schallmey
Pubblicato in: ACS Catalysis, Numero 14, 2025, ISSN 2155-5435
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACSCATAL.4C04815

Altering Active-Site Loop Dynamics Enhances Standalone Activity of the Tryptophan Synthase Alpha Subunit

Autori: Cristina Duran, Thomas Kinateder, Caroline Hiefinger, Reinhard Sterner, Sílvia Osuna
Pubblicato in: ACS Catalysis, Numero 14, 2024, ISSN 2155-5435
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACSCATAL.4C04587

Engineering of Conserved Sequence Motif 1 Residues in Halohydrin Dehalogenase HheC Simultaneously Enhances Activity, Stability, and Enantioselectivity

Autori: Sophie Staar, Miquel Estévez-Gay, Felix Kaspar, Sílvia Osuna, Anett Schallmey
Pubblicato in: ACS Catalysis, Numero 15, 2025, ISSN 2155-5435
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACSCATAL.5C00819

Channel matters: Overcoming diffusion bottlenecks via loop engineering of LinD for enhanced isoprene production

Autori: Julian L. Wissner, Max-Philipp Fischer, Wendy Escobedo-Hinojosa, Jan Klenk, Bettina M. Nestl, Jan Seeger, Anibal Cuetos, Gideon Grogan, Javier Iglesias-Fernández, Sílvia Osuna, Gloria Saab-Rincón, Bernhard Hauer
Pubblicato in: Journal of Biotechnology, Numero 407, 2025, ISSN 0168-1656
Editore: Elsevier BV
DOI: 10.1016/J.JBIOTEC.2025.07.019

Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene‐Hopene Cyclases

Autori: Julian Ludwig, Christian Curado‐Carballada, Stephan C. Hammer, Andreas Schneider, Svenja Diether, Nico Kress, Sergi Ruiz‐Barragán, Sílvia Osuna, Bernhard Hauer
Pubblicato in: Angewandte Chemie International Edition, Numero 63, 2024, ISSN 1433-7851
Editore: Wiley
DOI: 10.1002/ANIE.202318913

Reversible Substrate-Specific Photocontrol of the Chemotherapeutic Asparaginase(-Glutaminase) from <i>Escherichia coli</i>

Autori: Mona Wieland, Jonnely Luizaga, Cristina Duran, Barbara Germscheid, Johanna Rein, Astrid Bruckmann, Caroline Hiefinger, Sílvia Osuna, Andrea Hupfeld
Pubblicato in: ACS Catalysis, Numero 15, 2025, ISSN 2155-5435
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACSCATAL.5C01608