4mot
From Proteopedia
(Difference between revisions)
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| - | + | ==Structure of Streptococcus pneumonia pare in complex with AZ13072886== | |
| - | + | <StructureSection load='4mot' size='340' side='right' caption='[[4mot]], [[Resolution|resolution]] 1.75Å' scene=''> | |
| - | + | == Structural highlights == | |
| + | <table><tr><td colspan='2'>[[4mot]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Strr6 Strr6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MOT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MOT FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2B7:1-[4-(3-METHYLBUTYL)-5-OXO-6-(PYRIDIN-3-YL)-4,5-DIHYDRO[1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL]-3-PROP-2-EN-1-YLUREA'>2B7</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4em7|4em7]], [[4emv|4emv]], [[4mbc|4mbc]], [[4mb9|4mb9]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">parE, spar94_0831, spr0756 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=171101 STRR6])</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=4mot FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mot OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4mot RCSB], [http://www.ebi.ac.uk/pdbsum/4mot PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Scaffold hopping from the thiazolopyridine ureas led to thiazolopyridone ureas with potent antitubercular activity acting through inhibition of DNA GyrB ATPase activity. Structural diversity was introduced, by extension of substituents from the thiazolopyridone N-4 position, to access hydrophobic interactions in the ribose pocket of the ATP binding region of GyrB. Further optimization of hydrogen bond interactions with arginines in site-2 of GyrB active site pocket led to potent inhibition of the enzyme (IC50 2nM) along with potent cellular activity (MIC=0.1muM) against Mycobacterium tuberculosis (Mtb). Efficacy was demonstrated in an acute mouse model of tuberculosis on oral administration. | ||
| - | + | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.,Kale RR, Kale MG, Waterson D, Raichurkar A, Hameed SP, Manjunatha MR, Kishore Reddy BK, Malolanarasimhan K, Shinde V, Koushik K, Jena LK, Menasinakai S, Humnabadkar V, Madhavapeddi P, Basavarajappa H, Sharma S, Nandishaiah R, Mahesh Kumar KN, Ganguly S, Ahuja V, Gaonkar S, Naveen Kumar CN, Ogg D, Boriack-Sjodin PA, Sambandamurthy VK, de Sousa SM, Ghorpade SR Bioorg Med Chem Lett. 2014 Feb 1;24(3):870-9. doi: 10.1016/j.bmcl.2013.12.080., Epub 2013 Dec 25. PMID:24405701<ref>PMID:24405701</ref> | |
| - | + | ||
| - | == | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> |
| - | + | </div> | |
| + | |||
| + | ==See Also== | ||
| + | *[[Topoisomerase|Topoisomerase]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Strr6]] | [[Category: Strr6]] | ||
[[Category: Boriack-Sjodin, P A]] | [[Category: Boriack-Sjodin, P A]] | ||
| - | [[Category: Ogg, D | + | [[Category: Ogg, D]] |
[[Category: Antimicrobial]] | [[Category: Antimicrobial]] | ||
[[Category: Atp binding]] | [[Category: Atp binding]] | ||
Revision as of 08:16, 15 February 2015
Structure of Streptococcus pneumonia pare in complex with AZ13072886
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