8I30

Crystal structure of the SARS-CoV-2 main protease in complex with 32j

Summary for 8I30

• Entry DOI: 10.2210/pdb8i30/pdb
• Descriptor: 3C-like proteinase nsp5, (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: severe acute respiratory syndrome coronavirus 2, main protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34461.03

Authors

Zeng, R.,Huang, C.,Xie, L.W.,Wang, K.,Liu, Y.Z.,Yang, S.Y.,Lei, J. (deposition date: 2023-01-16, release date: 2023-08-16)

• Primary citation: Huang, C.,Zeng, R.,Qiao, J.,Quan, B.,Luo, R.,Huang, Q.,Guo, N.,Li, Y.,Long, X.,Ma, R.,Xia, A.,Fang, Z.,Wang, Y.,Li, Y.,Zheng, Y.,Li, L.,Lei, J.,Yang, S.; Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.; Eur.J.Med.Chem., 259:115657-115657, 2023; PubMed: 37517202; DOI: 10.1016/j.ejmech.2023.115657

Experimental method

X-RAY DIFFRACTION (2 Å)