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Structure paper

TitleRational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 4790-4799, Year 2016
Publish dateJan 13, 2016 (structure data deposition date)
AuthorsKitamura, S. / Hvorecny, K.L. / Niu, J. / Hammock, B.D. / Madden, D.R. / Morisseau, C.
External linksJ. Med. Chem. / PubMed:27120257
MethodsX-ray diffraction
Resolution1.65 - 2.05 Å
Structure data

PDB-5hk9:
Crystal structure of the CFTR inhibitory factor Cif bound to a urea inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5hka:
Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5hkb:
Crystal structure of the CFTR inhibitory factor Cif bound to the inhibitor KB2115
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-64O:
N-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide

ChemComp-HOH:
WATER

ChemComp-64N:
5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide

ChemComp-64L:
KB2115

ChemComp-ACT:
ACETATE ION

Source
  • pseudomonas aeruginosa (strain ucbpp-pa14) (bacteria)
  • pseudomonas aeruginosa ucbpp-pa14 (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Bacterial Epoxide Hydrolase / Inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex

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