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3phe

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==HCV NS5B with a bound quinolone inhibitor==
==HCV NS5B with a bound quinolone inhibitor==
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<StructureSection load='3phe' size='340' side='right' caption='[[3phe]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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<StructureSection load='3phe' size='340' side='right'caption='[[3phe]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3phe]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3PHE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3PHE FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3phe]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_C Hepacivirus C]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3PHE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3PHE 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=C9A:4-CHLOROBENZYL+6-FLUORO-7-(4-METHYLPIPERAZIN-1-YL)-1-[4-(METHYLSULFONYL)BENZYL]-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE'>C9A</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</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=3phe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3phe OCA], [http://pdbe.org/3phe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3phe RCSB], [http://www.ebi.ac.uk/pdbsum/3phe PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3phe ProSAT]</span></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C9A:4-CHLOROBENZYL+6-FLUORO-7-(4-METHYLPIPERAZIN-1-YL)-1-[4-(METHYLSULFONYL)BENZYL]-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE'>C9A</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3phe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3phe OCA], [https://pdbe.org/3phe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3phe RCSB], [https://www.ebi.ac.uk/pdbsum/3phe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3phe ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/D0PY27_9HEPC D0PY27_9HEPC]
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Hepatitis C virus (HCV) infection is treated with a combination of peginterferon alfa-2a/b and ribavirin. To address the limitations of this therapy, numerous small molecule agents are in development, which act by directly affecting key steps in the viral life-cycle. Herein we describe our discovery of quinolone derivatives, novel small-molecules that inhibit NS5b polymerase, a key enzyme of the viral life-cycle. A crystal structure of a quinoline analog bound to NS5B reveals that this class of compounds binds to allosteric site-II (non-nucleoside inhibitor-site 2, NNI-2) of this protein.
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Quinolones as HCV NS5B polymerase inhibitors.,Kumar DV, Rai R, Brameld KA, Somoza JR, Rajagopalan R, Janc JW, Xia YM, Ton TL, Shaghafi MB, Hu H, Lehoux I, To N, Young WB, Green MJ Bioorg Med Chem Lett. 2011 Jan 1;21(1):82-7. Epub 2010 Nov 21. PMID:21145235<ref>PMID:21145235</ref>
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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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<div class="pdbe-citations 3phe" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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*[[Nonstructural protein|Nonstructural protein]]
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*[[Nonstructural protein 3D structures|Nonstructural protein 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Lehoux, I]]
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[[Category: Hepacivirus C]]
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[[Category: Somoza, J R]]
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[[Category: Large Structures]]
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[[Category: To, N]]
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[[Category: Lehoux I]]
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[[Category: Mitochondrial membrane]]
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[[Category: Somoza JR]]
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[[Category: Polymerase]]
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[[Category: To N]]
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[[Category: Rna]]
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[[Category: Transferase]]
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[[Category: Transferase-transferase inhibitor complex]]
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Current revision

HCV NS5B with a bound quinolone inhibitor

PDB ID 3phe

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