8STZ

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37

8STZ の概要

• エントリーDOI: 10.2210/pdb8stz/pdb
• 分子名称: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate (3 entities in total)
• 機能のキーワード: main protease, viral protein, hydrolase
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34283.11

構造登録者

Blankenship, L.B.,Liu, W.R. (登録日: 2023-05-11, 公開日: 2023-08-30, 最終更新日: 2024-05-01)

• 主引用文献: Geng, Z.Z.,Atla, S.,Shaabani, N.,Vulupala, V.,Yang, K.S.,Alugubelli, Y.R.,Khatua, K.,Chen, P.H.,Xiao, J.,Blankenship, L.R.,Ma, X.R.,Vatansever, E.C.,Cho, C.D.,Ma, Y.,Allen, R.,Ji, H.,Xu, S.,Liu, W.R.; A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.; J.Med.Chem., 66:11040-11055, 2023; PubMed: 37561993; DOI: 10.1021/acs.jmedchem.3c00221

実験手法

X-RAY DIFFRACTION (1.85 Å)