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7AWU

Structure of SARS-CoV-2 Main Protease bound to LSN2463359.

Summary for 7AWU
Entry DOI10.2210/pdb7awu/pdb
Descriptor3C-like proteinase, ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide, CHLORIDE ION, ... (4 entities in total)
Functional Keywordssars-cov-2, mpro, covid-!9, peptide binding protein
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains1
Total formula weight34142.31
Authors
Ewert, W.,Guenther, S.,Reinke, P.,Oberthuer, D.,Yefanov, O.,Gelisio, L.,Ginn, H.,Lieske, J.,Domaracky, M.,Brehm, W.,Rahmani Mashour, A.,White, T.A.,Knoska, J.,Pena Esperanza, G.,Koua, F.,Tolstikova, A.,Groessler, M.,Fischer, P.,Hennicke, V.,Fleckenstein, H.,Trost, F.,Galchenkova, M.,Gevorkov, Y.,Li, C.,Awel, S.,Paulraj, L.X.,Ullah, N.,Falke, S.,Alves Franca, B.,Schwinzer, M.,Brognaro, H.,Werner, N.,Perbandt, M.,Tidow, H.,Seychell, B.,Beck, T.,Meier, S.,Doyle, J.J.,Giseler, H.,Melo, D.,Dunkel, I.,Lane, T.J.,Peck, A.,Saouane, S.,Hakanpaeae, J.,Meyer, J.,Noei, H.,Gribbon, P.,Ellinger, B.,Kuzikov, M.,Wolf, M.,Zhang, L.,Ehrt, C.,Pletzer-Zelgert, J.,Wollenhaupt, J.,Feiler, C.,Weiss, M.,Schulz, E.C.,Mehrabi, P.,Norton-Baker, B.,Schmidt, C.,Lorenzen, K.,Schubert, R.,Han, H.,Chari, A.,Fernandez Garcia, Y.,Turk, D.,Hilgenfeld, R.,Rarey, M.,Zaliani, A.,Chapman, H.N.,Pearson, A.,Betzel, C.,Meents, A. (deposition date: 2020-11-09, release date: 2020-12-02, Last modification date: 2024-01-31)
Primary citationGunther, S.,Reinke, P.Y.A.,Fernandez-Garcia, Y.,Lieske, J.,Lane, T.J.,Ginn, H.M.,Koua, F.H.M.,Ehrt, C.,Ewert, W.,Oberthuer, D.,Yefanov, O.,Meier, S.,Lorenzen, K.,Krichel, B.,Kopicki, J.D.,Gelisio, L.,Brehm, W.,Dunkel, I.,Seychell, B.,Gieseler, H.,Norton-Baker, B.,Escudero-Perez, B.,Domaracky, M.,Saouane, S.,Tolstikova, A.,White, T.A.,Hanle, A.,Groessler, M.,Fleckenstein, H.,Trost, F.,Galchenkova, M.,Gevorkov, Y.,Li, C.,Awel, S.,Peck, A.,Barthelmess, M.,Schlunzen, F.,Lourdu Xavier, P.,Werner, N.,Andaleeb, H.,Ullah, N.,Falke, S.,Srinivasan, V.,Franca, B.A.,Schwinzer, M.,Brognaro, H.,Rogers, C.,Melo, D.,Zaitseva-Doyle, J.J.,Knoska, J.,Pena-Murillo, G.E.,Mashhour, A.R.,Hennicke, V.,Fischer, P.,Hakanpaa, J.,Meyer, J.,Gribbon, P.,Ellinger, B.,Kuzikov, M.,Wolf, M.,Beccari, A.R.,Bourenkov, G.,von Stetten, D.,Pompidor, G.,Bento, I.,Panneerselvam, S.,Karpics, I.,Schneider, T.R.,Garcia-Alai, M.M.,Niebling, S.,Gunther, C.,Schmidt, C.,Schubert, R.,Han, H.,Boger, J.,Monteiro, D.C.F.,Zhang, L.,Sun, X.,Pletzer-Zelgert, J.,Wollenhaupt, J.,Feiler, C.G.,Weiss, M.S.,Schulz, E.C.,Mehrabi, P.,Karnicar, K.,Usenik, A.,Loboda, J.,Tidow, H.,Chari, A.,Hilgenfeld, R.,Uetrecht, C.,Cox, R.,Zaliani, A.,Beck, T.,Rarey, M.,Gunther, S.,Turk, D.,Hinrichs, W.,Chapman, H.N.,Pearson, A.R.,Betzel, C.,Meents, A.
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372:642-646, 2021
Cited by
PubMed: 33811162
DOI: 10.1126/science.abf7945
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.07 Å)
Structure validation

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