8HUS

Crystal structure of SARS main protease in complex with S217622

Summary for 8HUS

• Entry DOI: 10.2210/pdb8hus/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 (3 entities in total)
• Functional Keywords: viral protein-inhibitor complex, viral protein
• Biological source: Severe acute respiratory syndrome-related coronavirus (SARS-CoV)
• Total number of polymer chains: 2
• Total formula weight: 67197.26

Authors

Lin, C.,Zhang, J.,Li, J. (deposition date: 2022-12-24, release date: 2023-06-21, Last modification date: 2024-02-07)

• Primary citation: Lin, C.,Jiang, H.,Li, W.,Zeng, P.,Zhou, X.,Zhang, J.,Li, J.; Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.; Structure, 31:1016-1024.e3, 2023; PubMed: 37421945; DOI: 10.1016/j.str.2023.06.010

Experimental method

X-RAY DIFFRACTION (1.97 Å)