8SK4

Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors)

Summary for 8SK4

• Entry DOI: 10.2210/pdb8sk4/pdb
• Descriptor: 3C-like proteinase nsp5, 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, IMIDAZOLE, ... (4 entities in total)
• Functional Keywords: inhibitor, sars2, hydrolase, viral protein-inhibitor complex, viral protein/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34245.43

Authors

Knapp, M.S.,Ornelas, E. (deposition date: 2023-04-18, 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, :e202300116-e202300116, 2023; PubMed: 37069799; DOI: 10.1002/cbic.202300116

Experimental method

X-RAY DIFFRACTION (2 Å)