6W63

Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77

Summary for 6W63

• Entry DOI: 10.2210/pdb6w63/pdb
• Descriptor: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide (3 entities in total)
• Functional Keywords: covid-19, sars, sars-cov-2, sars-cov, main protease, 3c-like protease, 3cl protease, 3clpro, mpro, broad-spectrum, inhibitor, proteinase, non-covalent, reversible, structural genomics, center for structural genomics of infectious diseases, csgid, antiviral protein, viral protein-inhibitor complex, viral protein/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• Total number of polymer chains: 1
• Total formula weight: 34285.13

Authors

Mesecar, A.D.,Center for Structural Genomics of Infectious Diseases (CSGID) (deposition date: 2020-03-16, release date: 2020-03-25, Last modification date: 2023-10-18)

• Primary citation: Mesecar, A.D.; A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19); To Be Published,

Experimental method

X-RAY DIFFRACTION (2.1 Å)