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1w3c

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[[Image:1w3c.gif|left|200px]]<br /><applet load="1w3c" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1w3c.gif|left|200px]]
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caption="1w3c, resolution 2.3&Aring;" />
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'''CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS3 PROTEASE IN COMPLEX WITH A PEPTIDOMIMETIC INHIBITOR'''<br />
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{{Structure
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|PDB= 1w3c |SIZE=350|CAPTION= <scene name='initialview01'>1w3c</scene>, resolution 2.3&Aring;
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|SITE= <scene name='pdbsite=AC1:Dn2+Binding+Site+For+Chain+B'>AC1</scene>
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|LIGAND= <scene name='pdbligand=DN1:3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC+ACID'>DN1</scene> and <scene name='pdbligand=DN2:3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID'>DN2</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS3 PROTEASE IN COMPLEX WITH A PEPTIDOMIMETIC INHIBITOR'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1W3C is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Viruses Viruses] with <scene name='pdbligand=DN1:'>DN1</scene> and <scene name='pdbligand=DN2:'>DN2</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Known structural/functional Site: <scene name='pdbsite=AC1:Dn2+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W3C OCA].
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1W3C is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Viruses Viruses]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W3C OCA].
==Reference==
==Reference==
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The design and enzyme-bound crystal structure of indoline based peptidomimetic inhibitors of hepatitis C virus NS3 protease., Ontoria JM, Di Marco S, Conte I, Di Francesco ME, Gardelli C, Koch U, Matassa VG, Poma M, Steinkuhler C, Volpari C, Harper S, J Med Chem. 2004 Dec 16;47(26):6443-6. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15588076 15588076]
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The design and enzyme-bound crystal structure of indoline based peptidomimetic inhibitors of hepatitis C virus NS3 protease., Ontoria JM, Di Marco S, Conte I, Di Francesco ME, Gardelli C, Koch U, Matassa VG, Poma M, Steinkuhler C, Volpari C, Harper S, J Med Chem. 2004 Dec 16;47(26):6443-6. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15588076 15588076]
[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Viruses]]
[[Category: Viruses]]
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[[Category: serine protease]]
[[Category: serine protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:40:02 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:51:30 2008''

Revision as of 12:51, 20 March 2008

Image:1w3c.gif


PDB ID 1w3c

Drag the structure with the mouse to rotate
, resolution 2.3Å
Sites:
Ligands: and
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS3 PROTEASE IN COMPLEX WITH A PEPTIDOMIMETIC INHIBITOR


Overview

The design of a series of peptidomimetic inhibitors of the hepatitis C virus NS3 protease is described. These inhibitors feature an indoline-2-carboxamide as a novel heterocyclic replacement for the P3 amino acid residue and N-terminal capping group of tripeptide based inhibitors. The crystal structure of the ternary NS3/NS4A/inhibitor complex for the most active molecule in this series highlights its suitability as an N-terminal capping group of a dipeptide inhibitor of the NS3 protease.

About this Structure

1W3C is a Single protein structure of sequence from Viruses. Full crystallographic information is available from OCA.

Reference

The design and enzyme-bound crystal structure of indoline based peptidomimetic inhibitors of hepatitis C virus NS3 protease., Ontoria JM, Di Marco S, Conte I, Di Francesco ME, Gardelli C, Koch U, Matassa VG, Poma M, Steinkuhler C, Volpari C, Harper S, J Med Chem. 2004 Dec 16;47(26):6443-6. PMID:15588076

Page seeded by OCA on Thu Mar 20 14:51:30 2008

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