2i1r

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[[Image:2i1r.jpg|left|200px]]
[[Image:2i1r.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2i1r |SIZE=350|CAPTION= <scene name='initialview01'>2i1r</scene>, resolution 2.2&Aring;
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The line below this paragraph, containing "STRUCTURE_2i1r", 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=VXR:(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE'>VXR</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_2i1r| PDB=2i1r | SCENE= }}
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|RELATEDENTRY=[[2hwh|2HWH]], [[2hwi|2HWI]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2i1r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2i1r OCA], [http://www.ebi.ac.uk/pdbsum/2i1r PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2i1r RCSB]</span>
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}}
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'''Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure'''
'''Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure'''
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[[Category: Yan, S.]]
[[Category: Yan, S.]]
[[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 06:58:16 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:38:30 2008''
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Revision as of 03:58, 4 May 2008

Image:2i1r.jpg

Template:STRUCTURE 2i1r

Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure


Overview

Structure-activity relationships (SAR) of 1 against HCV NS5B polymerase were described. SAR explorations and further structure-based design led to the identifications of 2 and 3 as novel HCV NS5B inhibitors. X-ray structure of 3 in complex with NS5B polymerase was obtained at a resolution of 2.2A, and confirmed the design.

About this Structure

2I1R is a Single protein structure of sequence from Hepatitis c virus. Full crystallographic information is available from OCA.

Reference

Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure., Yan S, Larson G, Wu JZ, Appleby T, Ding Y, Hamatake R, Hong Z, Yao N, Bioorg Med Chem Lett. 2007 Jan 1;17(1):63-7. Epub 2006 Oct 4. PMID:17049849 Page seeded by OCA on Sun May 4 06:58:16 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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