2f9v | pdb_00002f9v

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HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines

File:2f9v.jpg


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2f9v, resolution 2.60Å
Ligands: ZN and BN6
Gene: NS3 protease domain ( residues 1027-1207 of the polyprotein). (Hepatitis C virus)
Coordinates: save as pdb, mmCIF, xml



Overview

Depeptidization efforts of the P(3)-P(2) region of P(3) capped alpha-ketoamide inhibitor of HCV NS3 serine protease 1 are reported. We clearly established that N-methylation of the P(2) nitrogen and modification of the P(2)' carboxylic acid terminus were essential for activity in the replicon assay.

About this Structure

2F9V is a Protein complex structure of sequences from Hepatitis c virus. Full crystallographic information is available from OCA.

Reference

Depeptidization efforts on P3-P2' alpha-ketoamide inhibitors of HCV NS3-4A serine protease: effect on HCV replicon activity., Bogen SL, Ruan S, Liu R, Agrawal S, Pichardo J, Prongay A, Baroudy B, Saksena AK, Girijavallabhan V, Njoroge FG, Bioorg Med Chem Lett. 2006 Mar 15;16(6):1621-7. Epub 2006 Jan 4. PMID:16387495

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