2a4r

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[[Image:2a4r.gif|left|200px]]<br /><applet load="2a4r" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2a4r.gif|left|200px]]
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caption="2a4r, resolution 2.40&Aring;" />
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'''HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.'''<br />
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{{Structure
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|PDB= 2a4r |SIZE=350|CAPTION= <scene name='initialview01'>2a4r</scene>, resolution 2.40&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <scene name='pdbligand=BNH:[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID'>BNH</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2A4R 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=BNH:'>BNH</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A4R OCA].
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2A4R 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=2A4R OCA].
==Reference==
==Reference==
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Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency., Bogen S, Saksena AK, Arasappan A, Gu H, Njoroge FG, Girijavallabhan V, Pichardo J, Butkiewicz N, Prongay A, Madison V, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4515-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16112862 16112862]
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Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency., Bogen S, Saksena AK, Arasappan A, Gu H, Njoroge FG, Girijavallabhan V, Pichardo J, Butkiewicz N, Prongay A, Madison V, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4515-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16112862 16112862]
[[Category: Hepatitis c virus]]
[[Category: Hepatitis c virus]]
[[Category: Protein complex]]
[[Category: Protein complex]]
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[[Category: virus/viral protein]]
[[Category: virus/viral protein]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:23:35 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:45:22 2008''

Revision as of 13:45, 20 March 2008

Image:2a4r.gif


PDB ID 2a4r

Drag the structure with the mouse to rotate
, resolution 2.40Å
Ligands: and
Coordinates: save as pdb, mmCIF, xml



HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.


Overview

Modification of the P(2) and P(1) side chains of earlier P(3)-capped alpha-ketoamide inhibitor of HCV NS3 serine protease 1 resulted in the discovery of compound 24 with about 10-fold improvement in potency.

About this Structure

2A4R is a Protein complex structure of sequences from Hepatitis c virus. Full crystallographic information is available from OCA.

Reference

Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency., Bogen S, Saksena AK, Arasappan A, Gu H, Njoroge FG, Girijavallabhan V, Pichardo J, Butkiewicz N, Prongay A, Madison V, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4515-9. PMID:16112862

Page seeded by OCA on Thu Mar 20 15:45:22 2008

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