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TitleExploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator.
Journal, issue, pagesAcs Chem. Biol., Vol. 5, Page 1007-1013, Year 2010
Publish dateAug 3, 2010 (structure data deposition date)
AuthorsWilland, N. / Desroses, M. / Toto, P. / Dirie, B. / Lens, Z. / Villeret, V. / Rucktooa, P. / Locht, C. / Baulard, A. / Deprez, B.
External linksAcs Chem. Biol. / PubMed:20704273
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-3o8g:
EthR from Mycobacterium tuberculosis in complex with compound BDM14801
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3o8h:
EthR from Mycobacterium tuberculosis in complex with compound BDM14950
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-O8G:
1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine

ChemComp-HOH:
WATER

ChemComp-O8H:
4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSCRIPTION REPRESSOR/INHIBITOR / TetR-Family / Transcritptional regulatory repressor / inhibitor / DNA / DNA BINDING PROTEIN / TRANSCRIPTION REPRESSOR-INHIBITOR complex / TRANSCRIPTION / Transcriptional Regulatory Repressor

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