7S75

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42

7S75 の概要

• エントリーDOI: 10.2210/pdb7s75/pdb
• 分子名称: 3C-like proteinase, (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-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: 34260.16

構造登録者

Yang, K.S.,Sankaran, B.,Liu, W.R. (登録日: 2021-09-15, 公開日: 2022-07-27, 最終更新日: 2023-10-18)

• 主引用文献: Alugubelli, Y.R.,Geng, Z.Z.,Yang, K.S.,Shaabani, N.,Khatua, K.,Ma, X.R.,Vatansever, E.C.,Cho, C.C.,Ma, Y.,Xiao, J.,Blankenship, L.R.,Yu, G.,Sankaran, B.,Li, P.,Allen, R.,Ji, H.,Xu, S.,Liu, W.R.; A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.; Eur.J.Med.Chem., 240:114596-114596, 2022; PubMed: 35839690; DOI: 10.1016/j.ejmech.2022.114596

実験手法

X-RAY DIFFRACTION (1.8 Å)