7TIU

Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46

7TIU の概要

• エントリーDOI: 10.2210/pdb7tiu/pdb
• 分子名称: 3C-like proteinase nsp5, (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, PHOSPHATE ION, ... (5 entities in total)
• 機能のキーワード: viral protein, viral protein-inhibitor complex, viral protein/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34464.82

構造登録者

Forouhar, F.,Liu, H.,Iketani, S.,Zack, A.,Khanizeman, N.,Bednarova, E.,Fowler, B.,Hong, S.J.,Mohri, H.,Nair, M.S.,Huang, Y.,Tay, N.E.S.,Lee, S.,Karan, C.,Resnick, S.J.,Quinn, C.,Li, W.,Shion, H.,Jurtschenko, C.,Lauber, M.A.,McDonald, T.,Stokes, M.E.,Hurst, B.,Rovis, T.,Chavez, A.,Ho, D.D.,Stockwell, B.R. (登録日: 2022-01-14, 公開日: 2022-05-04, 最終更新日: 2023-10-18)

• 主引用文献: Liu, H.,Iketani, S.,Zask, A.,Khanizeman, N.,Bednarova, E.,Forouhar, F.,Fowler, B.,Hong, S.J.,Mohri, H.,Nair, M.S.,Huang, Y.,Tay, N.E.S.,Lee, S.,Karan, C.,Resnick, S.J.,Quinn, C.,Li, W.,Shion, H.,Xia, X.,Daniels, J.D.,Bartolo-Cruz, M.,Farina, M.,Rajbhandari, P.,Jurtschenko, C.,Lauber, M.A.,McDonald, T.,Stokes, M.E.,Hurst, B.L.,Rovis, T.,Chavez, A.,Ho, D.D.,Stockwell, B.R.; Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.; Nat Commun, 13:1891-1891, 2022; PubMed: 35393402; DOI: 10.1038/s41467-022-29413-2

実験手法

X-RAY DIFFRACTION (1.65 Å)