3igv

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[[Image:3igv.png|left|200px]]
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==Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor==
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<StructureSection load='3igv' size='340' side='right' caption='[[3igv]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3igv]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Viruses Viruses]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3IGV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3IGV 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=B80:N-{3-[(6S)-6-ETHYL-1-(4-FLUOROBENZYL)-4-HYDROXY-2-OXO-1,2,5,6-TETRAHYDROPYRIDIN-3-YL]-1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-7-YL}METHANESULFONAMIDE'>B80</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3gyn|3gyn]]</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=3igv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3igv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3igv RCSB], [http://www.ebi.ac.uk/pdbsum/3igv 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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The discovery of 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of the HCV RNA-dependent RNA polymerase (NS5B) is described. Several of these agents also display potent antiviral activity in cell culture experiments (EC50 &lt;0.10 microM). In vitro DMPK data for selected compounds as well as crystal structures of representative inhibitors complexed with the NS5B protein are also disclosed.
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{{STRUCTURE_3igv| PDB=3igv | SCENE= }}
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5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.,Ellis DA, Blazel JK, Tran CV, Ruebsam F, Murphy DE, Li LS, Zhao J, Zhou Y, McGuire HM, Xiang AX, Webber SE, Zhao Q, Han Q, Kissinger CR, Lardy M, Gobbi A, Showalter RE, Shah AM, Tsan M, Patel RA, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L Bioorg Med Chem Lett. 2009 Nov 1;19(21):6047-52. Epub 2009 Sep 17. PMID:19796938<ref>PMID:19796938</ref>
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===Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone 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_19796938}}
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==About this Structure==
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[[3igv]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Viruses Viruses]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3IGV 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:019796938</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: RNA-directed RNA polymerase]]
[[Category: RNA-directed RNA polymerase]]
[[Category: Viruses]]
[[Category: Viruses]]
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[[Category: Han, Q.]]
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[[Category: Han, Q]]
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[[Category: Kissinger, C R.]]
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[[Category: Kissinger, C R]]
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[[Category: Showalter, R E.]]
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[[Category: Showalter, R E]]
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[[Category: Zhao, Q.]]
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[[Category: Zhao, Q]]
[[Category: Antiviral]]
[[Category: Antiviral]]
[[Category: Atp-binding]]
[[Category: Atp-binding]]

Revision as of 08:45, 8 December 2014

Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor

3igv, resolution 2.60Å

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