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Structure paper

TitleStructural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 9400-9406, Year 2017
Publish dateFeb 23, 2017 (structure data deposition date)
AuthorsJiang, Y. / Zhuang, C. / Chen, L. / Lu, J. / Dong, G. / Miao, Z. / Zhang, W. / Li, J. / Sheng, C.
External linksJ. Med. Chem. / PubMed:28929751
MethodsX-ray diffraction
Resolution1.95 - 2.5 Å
Structure data

PDB-5x72:
The crystal Structure PDE delta in complex with (rac)-p9
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5x73:
The crystal Structure PDE delta in complex with R-p9
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-5x74:
The crystal Structure PDE delta in complex with compound (R, R)-1g
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-P59:
(2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

ChemComp-P69:
(2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

ChemComp-HOH:
WATER

ChemComp-JAY:
(2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one

Source
  • homo sapiens (human)
KeywordsLIPID BINDING PROTEIN

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