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Structure paper

TitleDesign, synthesis and optimization of new EthR inhibitors. A new alternative approach to fight tuberculosis by boosting ethionamide
Journal, issue, pagesTo be Published
Publish dateDec 16, 2010 (structure data deposition date)
AuthorsFlipo, M. / Desroses, M. / Dirie, B. / Carette, X. / Lens, Z. / Rucktooa, P. / Leroux, F. / Piveteau, C. / Demirkaya, F. / Locht, C. ...Flipo, M. / Desroses, M. / Dirie, B. / Carette, X. / Lens, Z. / Rucktooa, P. / Leroux, F. / Piveteau, C. / Demirkaya, F. / Locht, C. / Villeret, V. / Christophe, T. / Jeon, H.K. / Brodin, P. / Deprez, B. / Baulard, A. / Willand, N.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.7 - 1.95 Å
Structure data

PDB-3q0u:
EthR from Mycobacterium tuberculosis in complex with compound BDM31379
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3q0v:
ETHR From mycobacterium tuberculosis in complex with compound bdm31369
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-LL3:
2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone

ChemComp-HOH:
WATER

ChemComp-LL4:
4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSCRIPTION/TRANSCRIPTION INHIBITOR / TETR family / Transcriptional repressor / TRANSCRIPTION-TRANSCRIPTION INHIBITOR complex

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