5n7o: Difference between revisions

Revision as of 11:58, 26 August 2020

EthR2 in complex with SMARt-420 compound

Structural highlights

5n7o is a 2 chain structure with sequence from Myctu. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	69Y
Related:	5icj, 5n1c, 5n1i
Gene:	Rv0078, LH57_00450 (MYCTU)
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

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^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Wohlkonig A, Remaut H, Moune M, Tanina A, Meyer F, Desroses M, Steyaert J, Willand N, Baulard AR, Wintjens R. Structural analysis of the interaction between spiroisoxazoline SMARt-420 and the Mycobacterium tuberculosis repressor EthR2. Biochem Biophys Res Commun. 2017 Apr 14. pii: S0006-291X(17)30750-7. doi:, 10.1016/j.bbrc.2017.04.074. PMID:28416386 doi:https://dx.doi.org/10.1016/j.bbrc.2017.04.074

Proteopedia Page Contributors and Editors (what is this?)

OCA

[1] Wohlkonig A, Remaut H, Moune M, Tanina A, Meyer F, Desroses M, Steyaert J, Willand N, Baulard AR, Wintjens R. Structural analysis of the interaction between spiroisoxazoline SMARt-420 and the Mycobacterium tuberculosis repressor EthR2. Biochem Biophys Res Commun. 2017 Apr 14. pii: S0006-291X(17)30750-7. doi:, 10.1016/j.bbrc.2017.04.074. PMID:28416386 doi:https://dx.doi.org/10.1016/j.bbrc.2017.04.074

[1]

@@ Line 1: / Line 1: @@
 ==EthR2 in complex with SMARt-420 compound==
-<StructureSection load='5n7o' size='340' side='right' caption='[[5n7o]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
+<StructureSection load='5n7o' size='340' side='right'caption='[[5n7o]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[5n7o]] is a 2 chain structure. 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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5N7O FirstGlance]. <br>
+<table><tr><td colspan='2'>[[5n7o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. 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 [http://proteopedia.org/fgij/fg.htm?mol=5N7O FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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>
+</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='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5icj|5icj]], [[5n1c|5n1c]], [[5n1i|5n1i]]</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=5n7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n7o OCA], [http://pdbe.org/5n7o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5n7o RCSB], [http://www.ebi.ac.uk/pdbsum/5n7o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5n7o ProSAT]</span></td></tr>
+<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Rv0078, LH57_00450 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5n7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n7o OCA], [http://pdbe.org/5n7o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5n7o RCSB], [http://www.ebi.ac.uk/pdbsum/5n7o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5n7o ProSAT]</span></td></tr>
 </table>
 <div style="background-color:#fffaf0;">
@@ Line 21: / Line 22: @@
 __TOC__
 </StructureSection>
+[[Category: Large Structures]]
+[[Category: Myctu]]
 [[Category: Wintjens, R]]
 [[Category: Wohlkonig, A]]

5n7o: Difference between revisions

Revision as of 11:58, 26 August 2020

EthR2 in complex with SMARt-420 compound

Structural highlights

Publication Abstract from PubMed

References

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