3TYV

SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase

3TYV の概要

• エントリーDOI: 10.2210/pdb3tyv/pdb
• 関連するPDBエントリー: 3TYQ
• 分子名称: RNA-directed RNA polymerase, PHOSPHATE ION, N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, ... (4 entities in total)
• 機能のキーワード: rna-dependent rna polymerase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Hepatitis C virus (HCV)
• 細胞内の位置: Core protein p21: Host endoplasmic reticulum membrane ; Single-pass membrane protein . Core protein p19: Virion . Envelope glycoprotein E1: Virion membrane ; Single-pass type I membrane protein . Envelope glycoprotein E2: Virion membrane ; Single-pass type I membrane protein . p7: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Protease NS2-3: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Serine protease NS3: Host endoplasmic reticulum membrane ; Peripheral membrane protein . Non-structural protein 4A: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein . Non-structural protein 4B: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Non-structural protein 5A: Host endoplasmic reticulum membrane ; Peripheral membrane protein . RNA-directed RNA polymerase: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein : O92972
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 129509.14

構造登録者

Lesburg, C.A.,Chen, K.X. (登録日: 2011-09-26, 公開日: 2012-02-01, 最終更新日: 2024-03-06)

• 主引用文献: Chen, K.X.,Vibulbhan, B.,Yang, W.,Sannigrahi, M.,Velazquez, F.,Chan, T.Y.,Venkatraman, S.,Anilkumar, G.N.,Zeng, Q.,Bennet, F.,Jiang, Y.,Lesburg, C.A.,Duca, J.,Pinto, P.,Gavalas, S.,Huang, Y.,Wu, W.,Selyutin, O.,Agrawal, S.,Feld, B.,Huang, H.C.,Li, C.,Cheng, K.C.,Shih, N.Y.,Kozlowski, J.A.,Rosenblum, S.B.,Njoroge, F.G.; Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.; J.Med.Chem., 55:754-765, 2012; PubMed: 22148957; DOI: 10.1021/jm201258k

実験手法

X-RAY DIFFRACTION (1.65 Å)