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

Günther, Sebastian; Günther, Sebastian; Reinke, P.; Fernández-García, Yaiza; Lieske, J.; J. Lane, Thomas; M. Ginn, Helen; Koua, F.; Ehrt, Christiane; Ewert, Wiebke; Oberthüer, D.; Yefanov, Oleksandr; Meier, S.; Lorenzen, Kristina; Krichel, Boris; Kopicki, Janine-Denise; Gelisio, Luca; Brehm, W.; Dunkel, Ilona; Seychell, B.; Gieseler, Henry; Norton‐Baker, Brenna; Escudero-Pérez, Beatriz; Domaracký, M.; Saouane, S.; Tolstikova, A.; A. White, Thomas; Hänle, Anna; Groessler, M.; Fleckenstein, Holger; Trost, F.; Galchenkova, M.; Gevorkov, Y.; Li, Chufeng; Awel, Salah; Peck, Ariana; Barthelmeß, Miriam; Schlünzen, Frank; Lourdu Xavier, P.; Werner, N.; Andaleeb, Hina; Ullah, Najeeb; Falke, Sven; Srinivasan, Vasundara; Alves Franca, B.; Schwinzer, M.; Brognaro, H.; Rogers, Cromarte; Melo, Diogo; J. Zaitseva-Doyle, Joanna; Knoška, J.; E. Peña Murillo, Gisel; Rahmani Mashhour, Aida; Hennicke, V.; Fischer, P.; Hakanpää, Johanna; H. Meyer, J.; Gribbon, Philip; Ellinger, Bernhard; Kuzikov, Maria; Wolf, Markus; R. Beccari, Andrea; Bourenkov, Gleb; von Stetten, David; Pompidor, Guillaume; Bento, Isabel; Panneerselvam, S.; Karpičs, Ivars; Schneider, T.; García-Alai, María; Niebling, Stephan; Günther, Christian; Schmidt, Christina; Schubert, Robin; Han, Huijong; Boger, J.; C. F. Monteiro, Diana; Zhang, Linlin; Sun, Xinyuanyuan; Pletzer-Zelgert, J.; Wollenhaupt, J.; Feiler, C.; Weiss, M.S.; Schulz, Eike-Christian; Mehrabi, P.; Karničar, Katarina; Usenik, Aleksandra; Loboda, Jure; Tidow, Henning; Chari, Ashwin; Hilgenfeld, Rolf; Uetrecht, Charlotte; J. Cox, Russell; Zaliani, Andrea; Beck, Tobias; Rarey, Matthias; Günther, Stephan; Günther, Stephan; Türk, Vito; Hinrichs, Winfried; N. Chapman, Henry; R. Pearson, Arwen; Betzel, Christian; Meents, Alke

doi:10.1126/science.abf7945

Public

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

Published in Science • Apr 2, 2021

Authors:

Sebastian Günther

P. Reinke

Abstract

A large-scale screen to target SARS-CoV-2 The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) genome is initially expressed as two large polyproteins. Its main protease, M pro , is essential to yield functional viral proteins, making it a key drug target. Günther et al. used x-ray cryst...

Subject

Drug repositioning

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)

Protease

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