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3hhk

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<StructureSection load='3hhk' size='340' side='right'caption='[[3hhk]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
<StructureSection load='3hhk' size='340' side='right'caption='[[3hhk]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3hhk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus_subtype_1b Hepatitis c virus subtype 1b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HHK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3HHK FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3hhk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepatitis_C_virus_subtype_1b Hepatitis C virus subtype 1b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HHK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3HHK 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=77Z:2-({(3R)-3-[(3S)-1-(3-METHYLBUTYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-1,1-DIOXIDO-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZIN-7-YL}OXY)ACETAMIDE'>77Z</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]] 1.7&#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=3hhk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hhk OCA], [http://pdbe.org/3hhk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3hhk RCSB], [http://www.ebi.ac.uk/pdbsum/3hhk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3hhk 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=77Z:2-({(3R)-3-[(3S)-1-(3-METHYLBUTYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-1,1-DIOXIDO-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZIN-7-YL}OXY)ACETAMIDE'>77Z</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=3hhk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hhk OCA], [https://pdbe.org/3hhk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3hhk RCSB], [https://www.ebi.ac.uk/pdbsum/3hhk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3hhk 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/Q99AU2_9HEPC Q99AU2_9HEPC]
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The synthesis and optimisation of HCV NS5B polymerase inhibitors with improved potency versus the existing compound 1 is described. Substitution in the benzothiadiazine portion of the molecule, furnishing improvement in potency in the high protein Replicon assay, is highlighted, culminating in the discovery of 12h, a highly potent oxyacetamide derivative.
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Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.,Shaw AN, Tedesco R, Bambal R, Chai D, Concha NO, Darcy MG, Dhanak D, Duffy KJ, Fitch DM, Gates A, Johnston VK, Keenan RM, Lin-Goerke J, Liu N, Sarisky RT, Wiggall KJ, Zimmerman MN Bioorg Med Chem Lett. 2009 Aug 1;19(15):4350-3. Epub 2009 May 28. PMID:19515564<ref>PMID:19515564</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 3hhk" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Hepatitis c virus subtype 1b]]
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[[Category: Hepatitis C virus subtype 1b]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Concha, N O]]
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[[Category: Concha NO]]
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[[Category: Singh, O]]
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[[Category: Singh O]]
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[[Category: Atp-binding]]
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[[Category: Envelope protein]]
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[[Category: Hcv]]
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[[Category: Helicase]]
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[[Category: Hydrolase]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Inhhibitor]]
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[[Category: Membrane]]
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[[Category: Ns5b]]
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[[Category: Nucleotide-binding]]
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[[Category: Polymerase]]
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[[Category: Rna replication]]
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[[Category: Transmembrane]]
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Current revision

HCV NS5b polymerase complex with a substituted benzothiadizine

PDB ID 3hhk

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OCA

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