3h5u

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[[Image:3h5u.png|left|200px]]
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==Hepatitis C virus polymerase NS5B with saccharin inhibitor 1==
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<StructureSection load='3h5u' size='340' side='right' caption='[[3h5u]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3h5u]] 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=3H5U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3H5U 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=H5U:N-({3-[(5S)-5-TERT-BUTYL-1-(4-FLUOROBENZYL)-4-HYDROXY-2-OXO-2,5-DIHYDRO-1H-PYRROL-3-YL]-1,1-DIOXIDO-1,2-BENZISOTHIAZOL-7-YL}METHYL)METHANESULFONAMIDE'>H5U</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]], [[3h59|3h59]], [[3h5s|3h5s]]</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=3h5u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3h5u OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3h5u RCSB], [http://www.ebi.ac.uk/pdbsum/3h5u 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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A series of benzo[d]isothiazole-1,1-dioxides were designed and evaluated as inhibitors of HCV polymerase NS5B. Structure-based design led to the incorporation of a high affinity methyl sulfonamide group. Structure-activity relationship (SAR) studies of this series revealed analogues with submicromolar potencies in the HCV replicon assay and moderate pharmacokinetic properties. SAR studies combined with structure based drug design focused on the sulfonamide region led to a novel and potent cyclic analogue.
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{{STRUCTURE_3h5u| PDB=3h5u | SCENE= }}
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Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides.,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, Adjabeng G, Elworthy TR, Li J, Wang B, Bamberg JT, Harris SF, Wong A, Leveque VJ, Najera I, Le Pogam S, Rajyaguru S, Ao-Ieong G, Alexandrova L, Larrabee S, Brandl M, Briggs A, Sukhtankar S, Farrell R Bioorg Med Chem Lett. 2009 Oct 1;19(19):5652-6. Epub 2009 Aug 8. PMID:19709881<ref>PMID:19709881</ref>
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===Hepatitis C virus polymerase NS5B with saccharin inhibitor 1===
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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_19709881}}
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==About this Structure==
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[[3h5u]] 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=3H5U 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:019709881</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 09:29, 8 December 2014

Hepatitis C virus polymerase NS5B with saccharin inhibitor 1

3h5u, resolution 1.95Å

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