3d5m
From Proteopedia
(Difference between revisions)
| Line 1: | Line 1: | ||
| - | [[ | + | ==Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor== |
| + | <StructureSection load='3d5m' size='340' side='right' caption='[[3d5m]], [[Resolution|resolution]] 2.20Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3d5m]] 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=3D5M OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3D5M FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4MS:N-({3-[(5S)-5-TERT-BUTYL-1-(3-CHLORO-4-FLUOROBENZYL)-4-HYDROXY-2-OXO-2,5-DIHYDRO-1H-PYRROL-3-YL]-1,1-DIOXIDO-1,2-BENZISOTHIAZOL-7-YL}METHYL)METHANESULFONAMIDE'>4MS</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3d28|3d28]]</td></tr> | ||
| + | <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> | ||
| + | <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=3d5m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3d5m OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3d5m RCSB], [http://www.ebi.ac.uk/pdbsum/3d5m PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A novel series of HCV NS5B polymerase inhibitors comprising 1,1-dioxoisothiazoles and benzo[b]thiophene-1,1-dioxides were designed, synthesized, and evaluated. SAR studies guided by structure-based design led to the identification of a number of potent NS5B inhibitors with nanomolar IC(50) values. The most potent compound exhibited IC(50) less than 10nM against the genotype 1b HCV polymerase and EC(50) of 70 nM against a genotype 1b replicon in cell culture. The DMPK properties of selected compounds were also evaluated. | ||
| - | + | Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.,Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR Bioorg Med Chem Lett. 2008 Jul 15;18(14):4181-5. Epub 2008 May 24. PMID:18554907<ref>PMID:18554907</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | ||
| - | + | ||
| - | + | ||
| - | + | ||
==See Also== | ==See Also== | ||
*[[RNA polymerase|RNA polymerase]] | *[[RNA polymerase|RNA polymerase]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | < | + | __TOC__ |
| + | </StructureSection> | ||
[[Category: RNA-directed RNA polymerase]] | [[Category: RNA-directed RNA polymerase]] | ||
[[Category: Viruses]] | [[Category: Viruses]] | ||
| - | [[Category: Han, Q | + | [[Category: Han, Q]] |
| - | [[Category: Kissinger, C R | + | [[Category: Kissinger, C R]] |
| - | [[Category: Showalter, R E | + | [[Category: Showalter, R E]] |
| - | [[Category: Zhao, Q | + | [[Category: Zhao, Q]] |
[[Category: Hydrolase]] | [[Category: Hydrolase]] | ||
[[Category: Nucleotidyltransferase]] | [[Category: Nucleotidyltransferase]] | ||
Revision as of 08:03, 12 November 2014
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
| |||||||||||
