2gvf
From Proteopedia
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|PDB= 2gvf |SIZE=350|CAPTION= <scene name='initialview01'>2gvf</scene>, resolution 2.50Å | |PDB= 2gvf |SIZE=350|CAPTION= <scene name='initialview01'>2gvf</scene>, resolution 2.50Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=NHN:(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE'>NHN</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1a1r|1A1R]], [[2fm2|2FM2]], [[1rgq|1RGQ]], [[2a4g|2A4G]], [[2a4r|2A4R]], [[2a4q|2A4Q]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2gvf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gvf OCA], [http://www.ebi.ac.uk/pdbsum/2gvf PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2gvf RCSB]</span> | ||
}} | }} | ||
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[[Category: Prongay, A.]] | [[Category: Prongay, A.]] | ||
[[Category: Venkatraman, S.]] | [[Category: Venkatraman, S.]] | ||
| - | [[Category: NHN]] | ||
| - | [[Category: ZN]] | ||
[[Category: hepatitis c]] | [[Category: hepatitis c]] | ||
[[Category: ketoamide inhibitor]] | [[Category: ketoamide inhibitor]] | ||
[[Category: protease]] | [[Category: protease]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:22:10 2008'' |
Revision as of 00:22, 31 March 2008
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| , resolution 2.50Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Related: | 1A1R, 2FM2, 1RGQ, 2A4G, 2A4R, 2A4Q
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021
Overview
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.
About this Structure
2GVF is a Protein complex structure of sequences from Hepatitis c virus. Full crystallographic information is available from OCA.
Reference
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
Page seeded by OCA on Mon Mar 31 03:22:10 2008
