7UUE

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI85

7UUE の概要

• エントリーDOI: 10.2210/pdb7uue/pdb
• 分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) (3 entities in total)
• 機能のキーワード: main protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34461.30

構造登録者

Yang, K.S.,Liu, W.R. (登録日: 2022-04-28, 公開日: 2023-01-25, 最終更新日: 2023-11-15)

• 主引用文献: Yang, K.S.,Blankenship, L.R.,Kuo, S.A.,Sheng, Y.J.,Li, P.,Fierke, C.A.,Russell, D.H.,Yan, X.,Xu, S.,Liu, W.R.; A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.; Acs Chem.Biol., 18:449-455, 2023; PubMed: 36629751; DOI: 10.1021/acschembio.2c00695

実験手法

X-RAY DIFFRACTION (1.85 Å)