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Structure paper

TitleStructure-Based Optimization of Potent Pdk1 Inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 4095-, Year 2010
Publish dateApr 23, 2010 (structure data deposition date)
AuthorsAngiolini, M. / Banfi, P. / Casale, E. / Casuscelli, F. / Fiorelli, C. / Saccardo, M.B. / Silvagni, M. / Zuccotto, F.
External linksBioorg. Med. Chem. Lett. / PubMed:20621725
MethodsX-ray diffraction
Resolution2 - 2.3 Å
Structure data

PDB-2xch:
Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2xck:
Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-CKG:
8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO)-1-(PIPERIDIN-4-YLMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-MH4:
1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PI3-KINASE SIGNALLING / SERINE/THREONINE-PROTEIN KINASE / ATP-BINDING

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