2A4R

HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.

2A4R の概要

• エントリーDOI: 10.2210/pdb2a4r/pdb
• 関連するPDBエントリー: 1A1R 1JXP 1N1L 1NS3 1RTL 2A4G
• 分子名称: NS3 protease/helicase, Ns4a peptide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: viral protein
• 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: 48083.16

構造登録者

Bogen, S.,Saksena, A.K.,Arasappan, A.,Gu, H.,Njoroge, F.G.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Prongay, A.,Madison, V. (登録日: 2005-06-29, 公開日: 2006-07-04, 最終更新日: 2024-02-14)

主引用文献

Bogen, S.,Saksena, A.K.,Arasappan, A.,Gu, H.,Njoroge, F.G.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Prongay, A.,Madison, V.
Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15:4515-4519, 2005

PubMed Abstract: Modification of the P(2) and P(1) side chains of earlier P(3)-capped alpha-ketoamide inhibitor of HCV NS3 serine protease 1 resulted in the discovery of compound 24 with about 10-fold improvement in potency.

PubMed: 16112862
DOI: 10.1016/j.bmcl.2005.07.009

実験手法

X-RAY DIFFRACTION (2.4 Å)