2wcx

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[[Image:2wcx.png|left|200px]]
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==CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS5B POLYMERASE IN COMPLEX WITH THIENOPYRROLE-BASED FINGER-LOOP INHIBITORS==
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<StructureSection load='2wcx' size='340' side='right' caption='[[2wcx]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2wcx]] is a 1 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=2WCX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCX FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=VGC:6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC+ACID'>VGC</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1nhu|1nhu]], [[2i1r|2i1r]], [[1jxp|1jxp]], [[2jc1|2jc1]], [[1gx6|1gx6]], [[1a1q|1a1q]], [[1c2p|1c2p]], [[1cu1|1cu1]], [[1ns3|1ns3]], [[2jc0|2jc0]], [[2ax1|2ax1]], [[1nhv|1nhv]], [[1csj|1csj]], [[2brl|2brl]], [[2brk|2brk]], [[1gx5|1gx5]], [[2ax0|2ax0]], [[2awz|2awz]], [[1quv|1quv]], [[1os5|1os5]]</td></tr>
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<tr><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wcx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wcx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wcx RCSB], [http://www.ebi.ac.uk/pdbsum/2wcx 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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Infections caused by the hepatitis C virus (HCV) are a significant world health problem for which novel therapies are in urgent demand. The NS5B polymerase of HCV is responsible for the replication of viral RNA and has been a prime target in the search for novel treatment options. We had discovered allosteric finger-loop inhibitors based on a thieno[3,2-b]pyrrole scaffold as an alternative to the related indole inhibitors. Optimization of the thienopyrrole series led to several N-acetamides with submicromolar potency in the cell-based replicon assay, but they lacked oral bioavailability in rats. By linking the N4-position to the ortho-position of the C5-aryl group, we were able to identify the tetracyclic thienopyrrole 40, which displayed a favorable pharmacokinetic profile in rats and dogs and is equipotent with recently disclosed finger-loop inhibitors based on an indole scaffold.
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{{STRUCTURE_2wcx| PDB=2wcx | SCENE= }}
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Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus NS5B Polymerase.,Martin Hernando JI, Ontoria JM, Malancona S, Attenni B, Fiore F, Bonelli F, Koch U, Di Marco S, Colarusso S, Ponzi S, Gennari N, Vignetti SE, Rico Ferreira MD, Habermann J, Rowley M, Narjes F ChemMedChem. 2009 Aug 11. PMID:19672916<ref>PMID:19672916</ref>
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===CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS5B POLYMERASE IN COMPLEX WITH THIENOPYRROLE-BASED FINGER-LOOP INHIBITORS===
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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_19672916}}
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==About this Structure==
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[[2wcx]] is a 1 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=2WCX 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:019672916</ref><ref group="xtra">PMID:015955819</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]]

Revision as of 01:00, 2 October 2014

CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS5B POLYMERASE IN COMPLEX WITH THIENOPYRROLE-BASED FINGER-LOOP INHIBITORS

2wcx, resolution 2.00Å

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