2A4G

Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound

2A4G の概要

• エントリーDOI: 10.2210/pdb2a4g/pdb
• 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: 48072.18

構造登録者

Arasappan, A.,Njoroge, F.G.,Chan, T.Y.,Bennett, F.,Bogen, S.L.,Chen, K.,Gu, H.,Hong, L.,Jao, E.,Liu, Y.T.,Lovey, R.G.,Parekh, T.,Pike, R.E.,Pinto, P.,Santhanam, B.,Venkatraman, S.,Vaccaro, H.,Wang, H.,Yang, X.,Zhu, Z.,Mckittrick, B.,Saksena, A.K.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Ingram, R.,Malcolm, B.,Prongay, A.J.,Yao, N.,Marten, B.,Madison, V.,Kemp, S.,Levy, O.,Lim-Wilby, M.,Tamura, S.,Ganguly, A.K. (登録日: 2005-06-28, 公開日: 2006-07-04, 最終更新日: 2024-10-09)

主引用文献

Arasappan, A.,Njoroge, F.G.,Chan, T.Y.,Bennett, F.,Bogen, S.L.,Chen, K.,Gu, H.,Hong, L.,Jao, E.,Liu, Y.T.,Lovey, R.G.,Parekh, T.,Pike, R.E.,Pinto, P.,Santhanam, B.,Venkatraman, S.,Vaccaro, H.,Wang, H.,Yang, X.,Zhu, Z.,Mckittrick, B.,Saksena, A.K.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Ingram, R.,Malcolm, B.,Prongay, A.J.,Yao, N.,Marten, B.,Madison, V.,Kemp, S.,Levy, O.,Lim-Wilby, M.,Tamura, S.,Ganguly, A.K.
Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15:4180-4184, 2005

PubMed Abstract: We have discovered that introduction of appropriate amino acid derivatives at P'2 position improved the binding potency of P3-capped alpha-ketoamide inhibitors of HCV NS3 serine protease. X-ray crystal structure of one of the inhibitors (43) bound to the protease revealed the importance of the P'2 moiety.

PubMed: 16087332
DOI: 10.1016/j.bmcl.2005.06.091

実験手法

X-RAY DIFFRACTION (2.5 Å)