2P59

Crystal Structure of Hepatitis C Virus NS3.4A protease

2P59 の概要

• エントリーDOI: 10.2210/pdb2p59/pdb
• 分子名称: NS3, peptide, (2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE (3 entities in total)
• 機能のキーワード: hcv protease, 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: 43242.94

構造登録者

Perni, R.B.,Wei, Y. (登録日: 2007-03-14, 公開日: 2008-02-05, 最終更新日: 2024-11-06)

主引用文献

Perni, R.B.,Chandorkar, G.,Cottrell, K.M.,Gates, C.A.,Lin, C.,Lin, K.,Luong, Y.P.,Maxwell, J.P.,Murcko, M.A.,Pitlik, J.,Rao, G.,Schairer, W.C.,Van Drie, J.,Wei, Y.
Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
Bioorg.Med.Chem.Lett., 17:3406-3411, 2007

PubMed Abstract: Reversible tetrapeptide-based compounds have been shown to effectively inhibit the hepatitis C virus NS3.4A protease. Inhibition of viral replicon RNA production in Huh-7 cells has also been demonstrated. We show herein that the inclusion of hydrogen bond donors on the P4 capping group of tetrapeptide-based inhibitors result in increased binding potency to the NS3.4A protease. The capping groups also impart significant effects on the pharmacokinetic profile of these inhibitors.

PubMed: 17482818
DOI: 10.1016/j.bmcl.2007.03.090

実験手法

X-RAY DIFFRACTION (2.9 Å)