2a4q

HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.

spinqualitylabelsall models 2a4q, resolution 2.45Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2a4q is a 4 chain structure with sequence from Hepacivirus C. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.45Å Ligands: BME, FNH, ZN Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function Q91RS4_9HEPC Publication Abstract from PubMed The 17-membered phenylalanine-based macrocycle 6 was prepared starting from 3-iodo-phenylalanine. Macrocyclization of alkene phenyl iodide 5 was effected through a palladium-catalyzed Heck reaction. The macrocyclic alpha-ketoamides were active inhibitors of the HCV NS3 protease, with the C-terminal acids and amides being more potent than tert-butyl esters. Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease.,Chen KX, Njoroge FG, Prongay A, Pichardo J, Madison V, Girijavallabhan V Bioorg Med Chem Lett. 2005 Oct 15;15(20):4475-8. PMID:16112859 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Helicase 3D structures Virus protease 3D structures

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