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2hwh

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[[Image:2hwh.gif|left|200px]]
[[Image:2hwh.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2hwh |SIZE=350|CAPTION= <scene name='initialview01'>2hwh</scene>, resolution 2.3&Aring;
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The line below this paragraph, containing "STRUCTURE_2hwh", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=RNA:4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE'>RNA</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/RNA-directed_RNA_polymerase RNA-directed RNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.48 2.7.7.48] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2hwh| PDB=2hwh | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2hwh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hwh OCA], [http://www.ebi.ac.uk/pdbsum/2hwh PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2hwh RCSB]</span>
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}}
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'''HCV NS5B allosteric inhibitor complex'''
'''HCV NS5B allosteric inhibitor complex'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Yao, N.]]
[[Category: Yao, N.]]
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[[Category: allosteric inhibitor]]
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[[Category: Allosteric inhibitor]]
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[[Category: hcv]]
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[[Category: Hcv]]
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[[Category: hcv inhibitor complex]]
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[[Category: Hcv inhibitor complex]]
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[[Category: ns5b]]
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[[Category: Ns5b]]
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[[Category: rdrp]]
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[[Category: Rdrp]]
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[[Category: viral rna-directed rna polymerase]]
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[[Category: Viral rna-directed rna polymerase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:47:55 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:36:24 2008''
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Revision as of 03:47, 4 May 2008

Image:2hwh.gif

Template:STRUCTURE 2hwh

HCV NS5B allosteric inhibitor complex


Overview

A structure-based approach was performed to design a novel thiazolone scaffold as HCV NS5B inhibitors. A focused library was designed and docked by GOLD. One of the top-scored molecules was synthesized and shown to have similar potency to the initial hit. The X-ray complex structure was determined and validated our design rationale.

About this Structure

2HWH is a Single protein structure of sequence from Hepatitis c virus. Full crystallographic information is available from OCA.

Reference

Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors., Yan S, Appleby T, Larson G, Wu JZ, Hamatake R, Hong Z, Yao N, Bioorg Med Chem Lett. 2006 Nov 15;16(22):5888-91. Epub 2006 Aug 24. PMID:16934455 Page seeded by OCA on Sun May 4 06:47:55 2008

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OCA

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