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2gvf
From Proteopedia
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| - | [[Image:2gvf.gif|left|200px]] | + | [[Image:2gvf.gif|left|200px]] |
| - | + | ||
| - | '''HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021''' | + | {{Structure |
| + | |PDB= 2gvf |SIZE=350|CAPTION= <scene name='initialview01'>2gvf</scene>, resolution 2.50Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <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> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2GVF is a [ | + | 2GVF is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GVF OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/16730985 16730985] |
[[Category: Hepatitis c virus]] | [[Category: Hepatitis c virus]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
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[[Category: protease]] | [[Category: protease]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:09:38 2008'' |
Revision as of 15:09, 20 March 2008
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| , resolution 2.50Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | and | ||||||
| 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 Thu Mar 20 17:09:38 2008
