8SKH
Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors
Summary for 8SKH
Entry DOI | 10.2210/pdb8skh/pdb |
Descriptor | 3C-like proteinase nsp5, 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one (3 entities in total) |
Functional Keywords | sars2, mpro, inhibitor, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 1 |
Total formula weight | 34200.41 |
Authors | Knapp, M.S.,Ornelas, E. (deposition date: 2023-04-19, release date: 2023-06-07, Last modification date: 2023-06-14) |
Primary citation | Moon, P.,Zammit, C.M.,Shao, Q.,Dovala, D.,Boike, L.,Henning, N.J.,Knapp, M.,Spradlin, J.N.,Ward, C.C.,Wolleb, H.,Fuller, D.,Blake, G.,Murphy, J.P.,Wang, F.,Lu, Y.,Moquin, S.A.,Tandeske, L.,Hesse, M.J.,McKenna, J.M.,Tallarico, J.A.,Schirle, M.,Toste, F.D.,Nomura, D.K. Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors. Chembiochem, 24:e202300116-e202300116, 2023 Cited by PubMed: 37069799DOI: 10.1002/cbic.202300116 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.882 Å) |
Structure validation
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