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Structure paper

TitleAminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
Journal, issue, pagesACS Med Chem Lett, Vol. 1, Page 439-442, Year 2010
Publish dateJul 7, 2010 (structure data deposition date)
AuthorsMedina, J.R. / Blackledge, C.W. / Heerding, D.A. / Campobasso, N. / Ward, P. / Briand, J. / Wright, L. / Axten, J.M.
External linksACS Med Chem Lett / PubMed:24900229
MethodsX-ray diffraction
Resolution1.9803 - 2.75 Å
Structure data

PDB-3nus:
phosphoinositide-dependent kinase-1 (PDK1) with fragment8
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-3nuu:
phosphoinositide-dependent kinase-1 (PDK1) with fragment11
Method: X-RAY DIFFRACTION / Resolution: 1.9803 Å

PDB-3nuy:
phosphoinositide-dependent kinase-1 (PDK1) with fragment17
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-JNZ:
1H-indazol-3-amine

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-JOZ:
3,4-dihydroisoquinolin-1(2H)-one

ChemComp-JPZ:
quinazolin-4(1H)-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase domain

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