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; PubMed: 37437852; DOI: 10.1016/j.bmcl.2023.129407

Experimental method

X-RAY DIFFRACTION (2.7 Å)