3h59

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[[Image:3h59.png|left|200px]]
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==Hepatitis C virus polymerase NS5B with thiazine inhibitor 2==
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<StructureSection load='3h59' size='340' side='right' caption='[[3h59]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3h59]] is a 2 chain structure with sequence 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=3H59 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3H59 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=H59:N-{3-[(5S)-5-(1,1-DIMETHYLPROPYL)-1-(4-FLUORO-3-METHYLBENZYL)-4-HYDROXY-2-OXO-2,5-DIHYDRO-1H-PYRROL-3-YL]-1,1-DIOXIDO-4H-1,4-BENZOTHIAZIN-7-YL}METHANESULFONAMIDE'>H59</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3g86|3g86]], [[2giq|2giq]], [[3h5s|3h5s]], [[3h5u|3h5u]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NS5B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3h59 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3h59 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3h59 RCSB], [http://www.ebi.ac.uk/pdbsum/3h59 PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Benzothiazine-substituted tetramic acids were discovered as highly potent non-nucleoside inhibitors of HCV NS5B polymerase. X-ray crystallography studies confirmed the binding mode of these inhibitors with HCV NS5B polymerase. Rational optimization of time dependent inactivation of CYP 3A4 and clearance was accomplished by incorporation of electron-withdrawing groups to the benzothiazine core.
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{{STRUCTURE_3h59| PDB=3h59 | SCENE= }}
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Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids.,de Vicente J, Hendricks RT, Smith DB, Fell JB, Fischer J, Spencer SR, Stengel PJ, Mohr P, Robinson JE, Blake JF, Hilgenkamp RK, Yee C, Zhao J, Elworthy TR, Tracy J, Chin E, Li J, Lui A, Wang B, Oshiro C, Harris SF, Ghate M, Leveque VJ, Najera I, Le Pogam S, Rajyaguru S, Ao-Ieong G, Alexandrova L, Fitch B, Brandl M, Masjedizadeh M, Wu SY, de Keczer S, Voronin T Bioorg Med Chem Lett. 2009 Oct 1;19(19):5648-51. Epub 2009 Aug 8. PMID:19700319<ref>PMID:19700319</ref>
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===Hepatitis C virus polymerase NS5B with thiazine inhibitor 2===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_19700319}}
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==About this Structure==
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[[3h59]] is a 2 chain structure with sequence 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=3H59 OCA].
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==See Also==
==See Also==
*[[RNA polymerase|RNA polymerase]]
*[[RNA polymerase|RNA polymerase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:019700319</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Hepatitis c virus]]
[[Category: Hepatitis c virus]]
[[Category: RNA-directed RNA polymerase]]
[[Category: RNA-directed RNA polymerase]]
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[[Category: Ghate, M.]]
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[[Category: Ghate, M]]
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[[Category: Harris, S F.]]
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[[Category: Harris, S F]]
[[Category: Apoptosis]]
[[Category: Apoptosis]]
[[Category: Atp-binding]]
[[Category: Atp-binding]]

Revision as of 09:23, 8 December 2014

Hepatitis C virus polymerase NS5B with thiazine inhibitor 2

3h59, resolution 2.10Å

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