X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease

authored by
Sebastian Günther, Patrick Y. A. Reinke, Yaiza Fernandez-Garcia, Julia Lieske, Thomas J. Lane, Helen M. Ginn, Faisal H. M. Koua, Christiane Ehrt, Wiebke Ewert, Dominik Oberthuer, Oleksandr Yefanov, Susanne Meier, Kristina Lorenzen, Boris Krichel, Janine-Denise Kopicki, Luca Gelisio, Wolfgang Brehm, Ilona Dunkel, Brandon Seychell, Henry Gieseler, Brenna Norton-Baker, Beatriz Escudero-Perez, Martin Domaracky, Sofiane Saouane, Alexandra Tolstikova, Thomas A. White, Anna Hänle, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, Miriam Barthelmess, Frank Schlünzen, P. Lourdu Xavier, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Vasundara Srinivasan, Bruno Alves Franca, Martin Schwinzer, Hevila Brognaro, Cromarte Rogers, Diogo Melo, Joanna J. Zaitseva-Doyle, Juraj Knoska, Gisel E. Pena-Murillo, Aida Rahmani Mashhour, Vincent Hennicke, Pontus Fischer, Johanna Hakanpää, Philip Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Andrea R. Beccari, Gleb Bourenkov, David von Stetten, Guillaume Pompidor, Isabel Bento, Saravanan Panneerselvam, Ivars Karpics, Thomas R. Schneider, Maria Marta Garcia-Alai, Stephan Niebling, Christian Günther, Christina Schmidt, Robin Schubert, Huijong Han, Juliane Boger, Diana C. F. Monteiro, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian G. Feiler, Manfred S. Weiss, Eike-Christian Schulz, Pedram Mehrabi, Katarina Karnicar, Aleksandra Usenik, Jure Loboda, Henning Tidow, Ashwin Chari, Rolf Hilgenfeld, Charlotte Uetrecht, Russell Cox, Andrea Zaliani, Tobias Beck, Matthias Rarey, Stephan Günther, Dusan Turk, Winfried Hinrichs, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents, Jan Meyer
Organisation(s)
Institute of Organic Chemistry
External Organisation(s)
Deutsches Elektronen-Synchrotron (DESY)
Bernhard Nocht Institute for Tropical Medicine (BNITM)
Diamond Light Source
Universität Hamburg
European X-Ray Free-Electron Laser Facility GmbH (XFEL)
Heinrich Pette Institute - Leibniz Institute for Experimental Virology (HPI)
Max-Planck Institute for Molecular Genetics (MPIMG)
Max Planck Institute for the Structure and Dynamics of Matter
University of California at Irvine
Hamburg University of Technology
California Institute of Technology
Fraunhofer-Institut für Translationale Medizin und Pharmakologie ITMP
Dompé Farmaceutici SpA
Universität zu Lübeck
Hauptman-Woodward Medical Research Institute
Helmholtz-Zentrum Berlin für Materialien und Energie (HZB)
Jožef Stefan Institut (IJS)
Max Planck Institute of Biophysics
University of Greifswald
Type
Article
Journal
SCIENCE
Volume
372
Pages
642-646
No. of pages
5
ISSN
0036-8075
Publication date
07.05.2021
Publication status
Published
Peer reviewed
Yes
ASJC Scopus subject areas
General
Sustainable Development Goals
SDG 3 - Good Health and Well-being
Electronic version(s)
https://doi.org/10.1126/science.abf7945 (Access: Open)