8HUR

Crystal structure of SARS-Cov-2 main protease in complex with S217622

Summary for 8HUR

Entry DOI	10.2210/pdb8hur/pdb
Descriptor	3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione (3 entities in total)
Functional Keywords	viral protein-inhibitor complex, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	2
Total formula weight	67187.26
Authors	Zhou, X.L.,Zhang, J.,Li, J. (deposition date: 2022-12-24, release date: 2023-06-21, Last modification date: 2024-02-07)
Primary citation	Lin, C.,Jiang, H.,Li, W.,Zeng, P.,Zhou, X.,Zhang, J.,Li, J. Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31:1016-1024.e3, 2023 Cited by PubMed: 37421945 DOI: 10.1016/j.str.2023.06.010 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.64 Å)

Structure validation