1w3c: Difference between revisions
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[[Image:1w3c.gif|left|200px]] | [[Image:1w3c.gif|left|200px]] | ||
'''CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS3 PROTEASE IN COMPLEX WITH A PEPTIDOMIMETIC INHIBITOR''' | {{Structure | ||
|PDB= 1w3c |SIZE=350|CAPTION= <scene name='initialview01'>1w3c</scene>, resolution 2.3Å | |||
|SITE= <scene name='pdbsite=AC1:Dn2+Binding+Site+For+Chain+B'>AC1</scene> | |||
|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> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS3 PROTEASE IN COMPLEX WITH A PEPTIDOMIMETIC INHIBITOR''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
1W3C is a [ | 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== | ||
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:// | 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]] | ||
''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 14:51:30 2008'' | ||
Revision as of 12:51, 20 March 2008
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| 1w3c, resolution 2.3Å | |||||||||||||
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| Sites: | AC1 | ||||||||||||
| Ligands: | DN1 and DN2 | ||||||||||||
| 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
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