2gvf

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[[Image:2gvf.gif|left|200px]]<br /><applet load="2gvf" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2gvf.gif|left|200px]]
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caption="2gvf, resolution 2.50&Aring;" />
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'''HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021'''<br />
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{{Structure
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|PDB= 2gvf |SIZE=350|CAPTION= <scene name='initialview01'>2gvf</scene>, resolution 2.50&Aring;
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|SITE=
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|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>
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|ACTIVITY=
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|GENE=
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}}
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'''HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2GVF is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus] with <scene name='pdbligand=ZN:'>ZN</scene> and <scene name='pdbligand=NHN:'>NHN</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GVF OCA].
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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==
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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://ispc.weizmann.ac.il//pmbin/getpm?pmid=16730985 16730985]
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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]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:35:49 2008''
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''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

Image:2gvf.gif


PDB ID 2gvf

Drag the structure with the mouse to rotate
, 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

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