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TitleDivergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Journal, issue, pagesEur. J. Med. Chem., Vol. 226, Page 113797-113797, Year 2021
Publish dateJan 28, 2021 (structure data deposition date)
AuthorsSchutz, C. / Hodzic, A. / Hamed, M. / Abdelsamie, A.S. / Kany, A.M. / Bauer, M. / Rohrig, T. / Schmelz, S. / Scrima, A. / Blankenfeldt, W. / Empting, M.
External linksEur. J. Med. Chem. / PubMed:34520957
MethodsX-ray diffraction
Resolution2.28 Å
Structure data

PDB-7nbw:
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

Chemicals

ChemComp-U7Q:
~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine

ChemComp-HOH:
WATER

Source
  • pseudomonas aeruginosa pao1 (bacteria)
KeywordsDNA BINDING PROTEIN / QUORUM SENSING / LYSR-TYPE TRANSCRIPTIONAL REGULATOR / PSEUDOMONAS / 2 QUINOLONE SIGNALING SYSTEM / LTTR

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