9CJR

X-ray crystal structure of SARS-CoV-2 main protease double mutants in complex with Ensitrelvir

Summary for 9CJR

• Entry DOI: 10.2210/pdb9cjr/pdb
• Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, MAGNESIUM ION, ... (5 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: 68291.83

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 double mutants in complex with Ensitrelvir; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.65 Å)