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5n7o
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 5n7o is ON HOLD Authors: Wohlkonig, A., Wintjens, R. Description: EthR2 in complex with SMARt-420 compound Category: Unreleased Structures [[Ca...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==EthR2 in complex with SMARt-420 compound== | |
| + | <StructureSection load='5n7o' size='340' side='right'caption='[[5n7o]], [[Resolution|resolution]] 2.30Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[5n7o]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5N7O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5N7O 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]] 2.3Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=69Y:4,4,4-TRIFLUORO-1-(3-PHENYL-1-OXA-2,8-DIAZASPIRO[4.5]DEC-2-EN-8-YL)BUTAN-1-ONE'>69Y</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=5n7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n7o OCA], [https://pdbe.org/5n7o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5n7o RCSB], [https://www.ebi.ac.uk/pdbsum/5n7o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5n7o ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/O53623_MYCTU O53623_MYCTU] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Inhibition of transcriptional regulators of bacterial pathogens with the aim of reprogramming their metabolism to modify their antibiotic susceptibility constitutes a promising therapeutic strategy. One example is the bio-activation of the anti-tubercular pro-drug ethionamide, which activity could be enhanced by inhibiting the transcriptional repressor EthR. Recently, we discovered that inhibition of a second transcriptional repressor, EthR2, leads to the awakening of a new ethionamide bio-activation pathway. The x-ray structure of EthR2 was solved at 2.3 A resolution in complex with a compound called SMARt-420 (Small Molecule Aborting Resistance). Detailed comparison and structural analysis revealed interesting insights for the upcoming structure-based design of EthR2 inhibitors as an alternative to revert ethionamide resistance in Mycobacterium tuberculosis. | ||
| - | + | Structural analysis of the interaction between spiroisoxazoline SMARt-420 and the Mycobacterium tuberculosis repressor EthR2.,Wohlkonig A, Remaut H, Moune M, Tanina A, Meyer F, Desroses M, Steyaert J, Willand N, Baulard AR, Wintjens R Biochem Biophys Res Commun. 2017 Apr 14. pii: S0006-291X(17)30750-7. doi:, 10.1016/j.bbrc.2017.04.074. PMID:28416386<ref>PMID:28416386</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: Wintjens | + | <div class="pdbe-citations 5n7o" style="background-color:#fffaf0;"></div> |
| - | [[Category: Wohlkonig | + | == References == |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Mycobacterium tuberculosis H37Rv]] | ||
| + | [[Category: Wintjens R]] | ||
| + | [[Category: Wohlkonig A]] | ||
Current revision
EthR2 in complex with SMARt-420 compound
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