6ZRT

Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir

6ZRT の概要

• エントリーDOI: 10.2210/pdb6zrt/pdb
• 分子名称: Main Protease, DIMETHYL SULFOXIDE, (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, ... (4 entities in total)
• 機能のキーワード: protease, telaprevir, inhibitor, viral protein
• 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: 34585.54

構造登録者

Oerlemans, R.,Wang, W.,Lunev, S.,Domling, A.,Groves, M.R. (登録日: 2020-07-14, 公開日: 2020-08-12, 最終更新日: 2024-01-31)

• 主引用文献: Oerlemans, R.,Ruiz-Moreno, A.J.,Cong, Y.,Dinesh Kumar, N.,Velasco-Velazquez, M.A.,Neochoritis, C.G.,Smith, J.,Reggiori, F.,Groves, M.R.,Domling, A.; Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.; Rsc Med Chem, 12:370-379, 2020; PubMed: 34041486; DOI: 10.1039/d0md00367k

実験手法

X-RAY DIFFRACTION (2.1 Å)