9CJP

X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Nirmatrelvir

Summary for 9CJP

• Entry DOI: 10.2210/pdb9cjp/pdb
• Descriptor: 3C-like proteinase nsp5, (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, ... (6 entities in total)
• Functional Keywords: hydrolase-inhibitor complex, sars2, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 69114.26

Authors

Esler, M.A.,Shi, K.,Harris, R.S.,Aihara, H. (deposition date: 2024-07-07, release date: 2025-07-09)

• Primary citation: Esler, M.A.,Shi, K.,Harris, R.S.,Aihara, H.; X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Nirmatrelvir; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.71 Å)