7Z59

SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative

Summary for 7Z59

Entry DOI	10.2210/pdb7z59/pdb
Descriptor	3C-like proteinase nsp5, (3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywords	inhibitor complex, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	34269.99
Authors	Owen, C.D.,Malla, T.R.,Brewitz, L.,Lukacik, P.,Strain-Damerell, C.,Mikolajek, H.,Muntean, D.G.,Aslam, H.,Salah, E.,Tumber, A.,Schofield, C.J.,Walsh, M.A. (deposition date: 2022-03-08, release date: 2022-06-29, Last modification date: 2024-01-31)
Primary citation	Malla, T.R.,Brewitz, L.,Muntean, D.G.,Aslam, H.,Owen, C.D.,Salah, E.,Tumber, A.,Lukacik, P.,Strain-Damerell, C.,Mikolajek, H.,Walsh, M.A.,Schofield, C.J. Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine. J.Med.Chem., 65:7682-7696, 2022 Cited by PubMed: 35549342 DOI: 10.1021/acs.jmedchem.1c02214 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation