4TWY

Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor

4TWY の概要

• エントリーDOI: 10.2210/pdb4twy/pdb
• 関連するPDBエントリー: 4TWW 4TWY
• 分子名称: 3C-like proteinase, (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal (3 entities in total)
• 機能のキーワード: hydrase proteinase converting, designed inhibitor, hydrase-inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human SARS coronavirus (SARS-CoV)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34303.21

構造登録者

Akaji, K.,Teruya, K.,Shimamoto, Y.,Sanjho, A.,Yamashita, E.,Nakagawa, A. (登録日: 2014-07-02, 公開日: 2015-02-18, 最終更新日: 2023-11-08)

• 主引用文献: Shimamoto, Y.,Hattori, Y.,Kobayashi, K.,Teruya, K.,Sanjoh, A.,Nakagawa, A.,Yamashita, E.,Akaji, K.; Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors; Bioorg.Med.Chem., 23:876-890, 2015; PubMed: 25614110; DOI: 10.1016/j.bmc.2014.12.028

実験手法

X-RAY DIFFRACTION (1.6 Å)