7SD9

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI48

7SD9 の概要

• エントリーDOI: 10.2210/pdb7sd9/pdb
• 分子名称: 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (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: 34196.04

構造登録者

Yang, K.S.,Liu, W.R. (登録日: 2021-09-29, 公開日: 2022-11-09, 最終更新日: 2024-03-20)

• 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)