3vqs

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[[Image:3vqs.jpg|left|200px]]
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==Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor==
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<StructureSection load='3vqs' size='340' side='right' caption='[[3vqs]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3vqs]] is a 4 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=3VQS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3VQS FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=JT1:(2R)-4-(5-CYCLOPROPYL[1,3]THIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[3-FLUORO-4-(TRIFLUOROMETHOXY)BENZYL]-1-{[4-(TRIFLUOROMETHYL)PHENYL]SULFONYL}PIPERAZINE-2-CARBOXAMIDE'>JT1</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1quv|1quv]], [[2dxs|2dxs]]</td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">genotype 1b ([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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3vqs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vqs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3vqs RCSB], [http://www.ebi.ac.uk/pdbsum/3vqs 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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JTK-853 is a novel piperazine derivative nonnucleoside inhibitor of hepatitis C virus (HCV) RNA-dependent RNA polymerase. JTK-853 showed potent inhibitory activity against genotype 1 HCV polymerase, with a 50% inhibitory concentration in the nanomolar range, and showed potent antiviral activity against the genotype 1b replicon, with a 50% effective concentration of 0.035 muM. The presence of human serum at up to 40% had little effect on the antiviral activity of JTK-853. Structure analysis of HCV polymerase with JTK-853 revealed that JTK-853 associates with the palm site and beta-hairpin region of HCV polymerase, and JTK-853 showed decreased antiviral activity against HCV replicons bearing the resistance mutations C316Y, M414T, Y452H, and L466V in the palm site region of HCV polymerase. JTK-853 showed an additive combination effect with other DAAs (direct antiviral agents), such as nucleoside polymerase inhibitor, thumb pocket-binding nonnucleoside polymerase inhibitor, NS5A inhibitor, and protease inhibitor. Collectively, these data demonstrate that JTK-853 is a potent and novel nonnucleoside palm site-binding HCV polymerase inhibitor, suggesting JTK-853 as a potentially useful agent in combination with other DAAs for treatment of HCV infections.
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{{STRUCTURE_3vqs| PDB=3vqs | SCENE= }}
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Preclinical Characterization of JTK-853, a Novel Nonnucleoside Inhibitor of the Hepatitis C Virus RNA-Dependent RNA Polymerase.,Ando I, Adachi T, Ogura N, Toyonaga Y, Sugimoto K, Abe H, Kamada M, Noguchi T Antimicrob Agents Chemother. 2012 Aug;56(8):4250-6. Epub 2012 May 21. PMID:22615294<ref>PMID:22615294</ref>
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===Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor===
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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_22615294}}
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==See Also==
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*[[RNA polymerase|RNA polymerase]]
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==About this Structure==
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== References ==
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[[3vqs]] is a 4 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=3VQS OCA].
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<references/>
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__TOC__
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==Reference==
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</StructureSection>
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<ref group="xtra">PMID:022615294</ref><references group="xtra"/>
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[[Category: Hepatitis c virus]]
[[Category: Hepatitis c virus]]
[[Category: Adachi, T.]]
[[Category: Adachi, T.]]

Revision as of 09:19, 11 June 2014

Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor

3vqs, resolution 1.90Å

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