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Structure paper

TitleNew active leads for tuberculosis booster drugs by structure-based drug discovery.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 15, Page 10245-10255, Year 2017
Publish dateMar 24, 2017 (structure data deposition date)
AuthorsTatum, N.J. / Liebeschuetz, J.W. / Cole, J.C. / Frita, R. / Herledan, A. / Baulard, A.R. / Willand, N. / Pohl, E.
External linksOrg. Biomol. Chem. / PubMed:29182187
MethodsX-ray diffraction
Resolution1.4 - 2.1 Å
Structure data

PDB-5nim:
EthR complex
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5nio:
EthR complex
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-5niz:
EthR complex
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5nj0:
EthR complex
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-8YE:
[1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-8YH:
~{N}-butyl-4-methyl-piperidine-1-carboxamide

ChemComp-8YT:
1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide

ChemComp-8YW:
~{N}-[(2~{R})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsDNA BINDING PROTEIN / TetR repressor / protein ligand complex

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