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TitleNovel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Journal, issue, pagesEur. J. Med. Chem., Vol. 208, Page 112778-112778, Year 2020
Publish dateMay 6, 2020 (structure data deposition date)
AuthorsGrossman, S. / Soukarieh, F. / Richardson, W. / Liu, R. / Mashabi, A. / Emsley, J. / Williams, P. / Camara, M. / Stocks, M.J.
External linksEur. J. Med. Chem. / PubMed:32927392
MethodsX-ray diffraction
Resolution2.95 - 3.201 Å
Structure data

PDB-6yz3:
PqsR (MvfR) in complex with antagonist 19
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-6z07:
PqsR (MvfR) in complex with antagonist 12
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

PDB-6z17:
PqsR (MvfR) in complex with antagonist 6
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

PDB-6z5k:
PqsR (MvfR) in complex with antagonist 18
Method: X-RAY DIFFRACTION / Resolution: 3.201 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-Q25:
6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one

ChemComp-HOH:
WATER

ChemComp-Q4E:
3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one

ChemComp-GOL:
GLYCEROL

ChemComp-Q4W:
6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one

ChemComp-QAE:
6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one

Source
  • pseudomonas aeruginosa (bacteria)
  • pseudomonas aeruginosa (strain ucbpp-pa14) (bacteria)
KeywordsDNA BINDING PROTEIN / Pseudomonas aeruginosa / Antagonist / Quorum sensing

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