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: 37069799 DOI: 10.1002/cbic.202300116 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.882 Å)

Structure validation