3h5s
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Hepatitis C virus polymerase NS5B with saccharin inhibitor== | |
| + | <StructureSection load='3h5s' size='340' side='right'caption='[[3h5s]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3h5s]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepatitis_C_virus_(isolate_BK) Hepatitis C virus (isolate BK)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3H5S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3H5S FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=H5S:(5S)-5-TERT-BUTYL-1-(4-FLUORO-3-METHYLBENZYL)-4-HYDROXY-3-[8-(METHYLSULFONYL)-1,1-DIOXIDO-6,7,8,9-TETRAHYDROISOTHIAZOLO[4,5-H]ISOQUINOLIN-3-YL]-1,5-DIHYDRO-2H-PYRROL-2-ONE'>H5S</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3h5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3h5s OCA], [https://pdbe.org/3h5s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3h5s RCSB], [https://www.ebi.ac.uk/pdbsum/3h5s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3h5s ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | 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. | ||
| - | + | 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> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3h5s" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| + | *[[RNA polymerase 3D structures|RNA polymerase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Harris SF]] | ||
| + | [[Category: Wong A]] | ||
Current revision
Hepatitis C virus polymerase NS5B with saccharin inhibitor
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