5j3l
From Proteopedia
(Difference between revisions)
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| - | '''Unreleased structure''' | ||
| - | + | ==Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 1-((2-cyclopentylethyl)sulfonyl)pyrrolidine at 1.66A resolution== | |
| + | <StructureSection load='5j3l' size='340' side='right' caption='[[5j3l]], [[Resolution|resolution]] 1.66Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[5j3l]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J3L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5J3L FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6FR:1-[(2-CYCLOPENTYLETHYL)SULFONYL]PYRROLIDINE'>6FR</scene></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=5j3l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j3l OCA], [http://pdbe.org/5j3l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j3l RCSB], [http://www.ebi.ac.uk/pdbsum/5j3l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j3l ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [[http://www.uniprot.org/uniprot/ETHR_MYCTO ETHR_MYCTO]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH). | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Small molecule inhibitors of the mycobacterial transcriptional repressor EthR have previously been shown to act as boosters of the second-line antituberculosis drug ethionamide. Fragment-based drug discovery approaches have been used in the past to make highly potent EthR inhibitors with ethionamide boosting activity both in vitro and ex vivo. Herein, we report the development of fragment-sized EthR ligands with nanomolar minimum effective concentration (MEC) values for the boosting of ethionamide activity in M. tuberculosis whole cell assays. | ||
| - | + | Fragment-sized EthR inhibitors exhibit exceptionally strong ethionamide boosting effect in whole cell Mycobacterium tuberculosis assays.,Nikiforov PO, Blaszczyk M, Surade S, Boshoff HI, Sajid A, Delorme V, Deboosere N, Brodin P, Baulard AR, Barry Rd CE, Blundell TL, Abell C ACS Chem Biol. 2017 Mar 17. doi: 10.1021/acschembio.7b00091. PMID:28314097<ref>PMID:28314097</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 5j3l" style="background-color:#fffaf0;"></div> | |
| - | + | == References == | |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Abell, C]] | [[Category: Abell, C]] | ||
[[Category: Blaszczyk, M]] | [[Category: Blaszczyk, M]] | ||
| - | [[Category: Nikiforov, P | + | [[Category: Blundell, T L]] |
| + | [[Category: Nikiforov, P O]] | ||
| + | [[Category: Surade, S]] | ||
| + | [[Category: Boosting effect]] | ||
| + | [[Category: Ethr]] | ||
| + | [[Category: Represor]] | ||
| + | [[Category: Transcription]] | ||
Revision as of 13:45, 29 March 2017
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 1-((2-cyclopentylethyl)sulfonyl)pyrrolidine at 1.66A resolution
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