3EYD

Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid

3EYD の概要

• エントリーDOI: 10.2210/pdb3eyd/pdb
• 分子名称: HCV NS3, HCV NS4a peptide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: hepatitis c virus, ns3 protease domain, serine protease, boronic acid inhibitor, envelope protein, helicase, hydrolase, nucleotide-binding, rna replication, transmembrane, viral protein
• 由来する生物種: Hepatitis C virus subtype 1a; 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 48012.99

構造登録者

Venkatraman, S.,Wu, W.,Prongay, A.J.,Girijavallabhan, V.,Njoroge, F.G. (登録日: 2008-10-20, 公開日: 2009-02-10, 最終更新日: 2024-11-20)

主引用文献

Venkatraman, S.,Wu, W.,Prongay, A.,Girijavallabhan, V.,George Njoroge, F.
Potent inhibitors of HCV-NS3 protease derived from boronic acids.
Bioorg.Med.Chem.Lett., 19:180-183, 2009

PubMed Abstract: Chronic hepatitis C infection is the leading causes for cirrhosis of the liver and hepatocellular carcinoma, leading to liver failure and liver transplantation. The etiological agent, HCV virus produces a single positive strand of RNA that is processed with the help of serine protease NS3 to produce mature virus. Inhibition of NS3 protease can be potentially used to develop effective drugs for HCV infections. Numerous efforts are now underway to develop potent inhibitors of HCV protease that contain ketoamides as serine traps. Herein we report the synthesis of a series of potent inhibitors that contain a boronic acid as a serine trap. The activity of these compounds were optimized to 200pM. X-ray structure of compound 17 bound to NS3 protease is also discussed.

PubMed: 19022670
DOI: 10.1016/j.bmcl.2008.10.124

実験手法

X-RAY DIFFRACTION (2.3 Å)