HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021

Structural highlights

2gvf is a 4 chain structure with sequence from Hepacivirus hominis and Hepatitis C virus (isolate 1). Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.5Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Evolutionary Conservation

 

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

Synthesis and HCV NS3 serine protease inhibitory activity of 4-hydroxyproline derived macrocyclic inhibitors and SAR around this macrocyclic core is described in this communication. X-ray structure of inhibitor 38 bound to the protease is discussed.

P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.,Arasappan A, Njoroge FG, Chen KX, Venkatraman S, Parekh TN, Gu H, Pichardo J, Butkiewicz N, Prongay A, Madison V, Girijavallabhan V Bioorg Med Chem Lett. 2006 Aug 1;16(15):3960-5. Epub 2006 May 30. PMID:16730985[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. Arasappan A, Njoroge FG, Chen KX, Venkatraman S, Parekh TN, Gu H, Pichardo J, Butkiewicz N, Prongay A, Madison V, Girijavallabhan V. P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease. Bioorg Med Chem Lett. 2006 Aug 1;16(15):3960-5. Epub 2006 May 30. PMID:16730985 doi:10.1016/j.bmcl.2006.05.022

2gvf, resolution 2.50Å

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