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 | |
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: 38101266DOI: 10.1016/j.bioorg.2023.107001 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
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