1W3C

Crystal structure of the Hepatitis C Virus NS3 Protease in complex with a peptidomimetic inhibitor

1W3C の概要

• エントリーDOI: 10.2210/pdb1w3c/pdb
• 分子名称: PROTEASE/HELICASE NS3 (P70), NONSTRUCTURAL PROTEIN NS4A (P4), 3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB ONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, ... (5 entities in total)
• 機能のキーワード: hydrolase, serine protease, hcv, indoline-based peptidomimetic inhibitor
• 由来する生物種: HEPATITIS C VIRUS (ISOLATE 1); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 44006.50

構造登録者

Di Marco, S.,Volpari, C. (登録日: 2004-07-14, 公開日: 2004-12-09, 最終更新日: 2024-10-23)

主引用文献

Ontoria, J.M.,Di Marco, S.,Conte, I.,Di Francesco, M.E.,Gardelli, C.,Koch, U.,Matassa, V.G.,Poma, M.,Steinkuhler, C.,Volpari, C.,Harper, S.
The Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease
J.Med.Chem., 47:6443-, 2004

PubMed Abstract: The design of a series of peptidomimetic inhibitors of the hepatitis C virus NS3 protease is described. These inhibitors feature an indoline-2-carboxamide as a novel heterocyclic replacement for the P3 amino acid residue and N-terminal capping group of tripeptide based inhibitors. The crystal structure of the ternary NS3/NS4A/inhibitor complex for the most active molecule in this series highlights its suitability as an N-terminal capping group of a dipeptide inhibitor of the NS3 protease.

PubMed: 15588076
DOI: 10.1021/JM049435D

実験手法

X-RAY DIFFRACTION (2.3 Å)