8WTI

Crystal structure of the SARS-CoV-2 main protease in complex with 20j

Summary for 8WTI

Entry DOI	10.2210/pdb8wti/pdb
Descriptor	3C-like proteinase nsp5, ~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide, DI(HYDROXYETHYL)ETHER, ... (5 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	2
Total formula weight	69296.95
Authors	Zeng, R.,Zhao, X.,Yang, S.Y.,Lei, J. (deposition date: 2023-10-18, release date: 2024-08-28)
Primary citation	Huang, Q.,Quan, B.,Chen, Y.,Zhao, X.,Zhou, Y.,Huang, C.,Qiao, J.,Wang, Y.,Li, Y.,Yang, S.,Lei, J.,Li, L. Discovery of alpha-Ketoamide inhibitors of SARS-CoV-2 main protease derived from quaternized P1 groups. Bioorg.Chem., 143:107001-107001, 2024 Cited by PubMed: 38101266 DOI: 10.1016/j.bioorg.2023.107001 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation