2A4R

HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.

Summary for 2A4R

• Entry DOI: 10.2210/pdb2a4r/pdb
• Related: 1A1R 1JXP 1N1L 1NS3 1RTL 2A4G
• Descriptor: NS3 protease/helicase, Ns4a peptide, ZINC ION, ... (5 entities in total)
• Functional Keywords: viral protein
• Biological source: Hepatitis C virus; More
• Total number of polymer chains: 4
• Total formula weight: 48083.16

Authors

Bogen, S.,Saksena, A.K.,Arasappan, A.,Gu, H.,Njoroge, F.G.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Prongay, A.,Madison, V. (deposition date: 2005-06-29, release date: 2006-07-04, Last modification date: 2024-02-14)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (2.4 Å)