9CJS

X-ray crystal structure of SARS-CoV-2 main protease triple mutants in complex with Bofutrelvir

Summary for 9CJS

• Entry DOI: 10.2210/pdb9cjs/pdb
• Descriptor: 3C-like proteinase nsp5, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide (3 entities in total)
• Functional Keywords: hydrolase-inhibitor complex, sars2, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34018.88

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 triple mutants in complex with Bofutrelvir; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.09 Å)