2GVF

HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021

2GVF の概要

• エントリーDOI: 10.2210/pdb2gvf/pdb
• 関連するPDBエントリー: 1A1R 1RGQ 2A4G 2A4Q 2A4R 2FM2
• 分子名称: polyprotein, Polyprotein, ZINC ION, ... (5 entities in total)
• 機能のキーワード: hepatitis c, protease, ketoamide inhibitor, hydrolase
• 由来する生物種: Hepatitis C virus; 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 47911.88

構造登録者

Arasappan, A.,Njoroge, F.G.,Chen, K.X.,Venkatraman, S.,Parekh, T.N.,Gu, H.,Pichardo, J.,Butkiewicz, N.,Prongay, A.,Madison, V.,Girijavallabhan, V. (登録日: 2006-05-02, 公開日: 2007-01-23, 最終更新日: 2024-11-20)

主引用文献

Arasappan, A.,Njoroge, F.G.,Chen, K.X.,Venkatraman, S.,Parekh, T.N.,Gu, H.,Pichardo, J.,Butkiewicz, N.,Prongay, A.,Madison, V.,Girijavallabhan, V.
P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16:3960-3965, 2006

PubMed Abstract: Synthesis and HCV NS3 serine protease inhibitory activity of 4-hydroxyproline derived macrocyclic inhibitors and SAR around this macrocyclic core is described in this communication. X-ray structure of inhibitor 38 bound to the protease is discussed.

PubMed: 16730985
DOI: 10.1016/j.bmcl.2006.05.022

実験手法

X-RAY DIFFRACTION (2.5 Å)