8VDJ

Crystal structure of SARS-CoV-2 3CL protease (3CLpro) as a covalent complex with EDP-235

This is a non-PDB format compatible entry.

Summary for 8VDJ

• Entry DOI: 10.2210/pdb8vdj/pdb
• Descriptor: 3C-like proteinase nsp5, 4,6,7-trifluoro-N-{(2S)-1-[(3R,5'R)-5'-(iminomethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl]-4-methyl-1-oxopentan-2-yl}-N-methyl-1H-indole-2-carboxamide, THIOCYANATE ION, ... (4 entities in total)
• Functional Keywords: 3c-like proteinase sars-cov-2, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 ( SARS-CoV-2, 2019-nCoV, COVID-19 virus)
• Total number of polymer chains: 2
• Total formula weight: 68788.27

Authors

Cade, I.A.,Rhodin, M.H.J. (deposition date: 2023-12-15, release date: 2024-08-14)

• Primary citation: Rhodin, M.H.J.,Reyes, A.C.,Balakrishnan, A.,Bisht, N.,Kelly, N.M.,Gibbons, J.S.,Lloyd, J.,Vaine, M.,Cressey, T.,Crepeau, M.,Shen, R.,Manalo, N.,Castillo, J.,Levene, R.E.,Leonard, D.,Zang, T.,Jiang, L.,Daniels, K.,Cox, R.M.,Lieber, C.M.,Wolf, J.D.,Plemper, R.K.,Leist, S.R.,Scobey, T.,Baric, R.S.,Wang, G.,Goodwin, B.,Or, Y.S.; The small molecule inhibitor of SARS-CoV-2 3CLpro EDP-235 prevents viral replication and transmission in vivo.; Nat Commun, 15:6503-6503, 2024; PubMed: 39090095; DOI: 10.1038/s41467-024-50931-8

Experimental method