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TitleIndolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 3814-3818, Year 2007
Publish dateApr 1, 2007 (structure data deposition date)
AuthorsIslam, I. / Bryant, J. / Chou, Y.L. / Kochanny, M.J. / Lee, W. / Phillips, G.B. / Yu, H. / Adler, M. / Whitlow, M. / Ho, E. ...Islam, I. / Bryant, J. / Chou, Y.L. / Kochanny, M.J. / Lee, W. / Phillips, G.B. / Yu, H. / Adler, M. / Whitlow, M. / Ho, E. / Lentz, D. / Polokoff, M.A. / Subramanyam, B. / Wu, J.M. / Zhu, D. / Feldman, R.I. / Arnaiz, D.O.
External linksBioorg. Med. Chem. Lett. / PubMed:17531483
MethodsX-ray diffraction
Resolution2.14 - 2.35 Å
Structure data

PDB-2pe0:
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-2pe1:
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-39Z:
5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-517:
1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PROTEIN INHIBITOR COMPLEX / SERINE KINASE

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