8JOP
Crystal structure of the SARS-CoV-2 main protease in complex with 11a
Summary for 8JOP
Entry DOI | 10.2210/pdb8jop/pdb |
Descriptor | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate (3 entities in total) |
Functional Keywords | severe acute respiratory syndrome coronavirus 2, main protease, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 1 |
Total formula weight | 34283.98 |
Authors | Zeng, R.,Liu, Y.Z.,Wang, F.L.,Yang, S.Y.,Lei, J. (deposition date: 2023-06-08, release date: 2023-08-16) |
Primary citation | Wang, F.,Zeng, R.,Qiao, J.,Xia, A.,Li, Y.,Li, F.,Wu, Y.,Liu, Y.,Zhao, X.,Lei, J.,Yang, S. Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease. Bioorg.Med.Chem.Lett., 92:129407-129407, 2023 Cited by PubMed: 37437852DOI: 10.1016/j.bmcl.2023.129407 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.7 Å) |
Structure validation
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