5ipa: Difference between revisions
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==Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with (E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one at 1.78A resolution== | |||
<StructureSection load='5ipa' size='340' side='right'caption='[[5ipa]], [[Resolution|resolution]] 1.78Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5ipa]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Ra Mycobacterium tuberculosis H37Ra]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IPA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5IPA 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]] 1.78Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6C8:(2E)-3-(FURAN-3-YL)-1-(PYRROLIDIN-1-YL)PROP-2-EN-1-ONE'>6C8</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=5ipa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ipa OCA], [https://pdbe.org/5ipa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ipa RCSB], [https://www.ebi.ac.uk/pdbsum/5ipa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ipa ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/A5U9I4_MYCTA A5U9I4_MYCTA] | |||
<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> | |||
[[Category: | </div> | ||
[[Category: Abell | <div class="pdbe-citations 5ipa" style="background-color:#fffaf0;"></div> | ||
[[Category: Blaszczyk | == References == | ||
[[Category: | <references/> | ||
[[Category: | __TOC__ | ||
[[Category: Surade | </StructureSection> | ||
[[Category: Large Structures]] | |||
[[Category: Mycobacterium tuberculosis H37Ra]] | |||
[[Category: Abell C]] | |||
[[Category: Blaszczyk M]] | |||
[[Category: Blundell TL]] | |||
[[Category: Nikiforov PO]] | |||
[[Category: Surade S]] | |||
Latest revision as of 14:04, 30 August 2023
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with (E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one at 1.78A resolution
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