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Structure paper

TitleFrom PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 1093-1098, Year 2017
Publish dateSep 7, 2017 (structure data deposition date)
AuthorsHenley, Z.A. / Bax, B.D. / Inglesby, L.M. / Champigny, A. / Gaines, S. / Faulder, P. / Le, J. / Thomas, D.A. / Washio, Y. / Baldwin, I.R.
External linksACS Med Chem Lett / PubMed:29057057
MethodsX-ray diffraction
Resolution3 - 3.2 Å
Structure data

PDB-5oy4:
GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

PDB-6ayd:
Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-B4K:
~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide

ChemComp-HOH:
WATER

ChemComp-C2J:
N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Phosphoinositide-3-kinase delta inhibitor / PI3K delta inhibitor / kinase cross-screening / Transferase/Transferase Inhibitor / Kinase / Transferase-Transferase Inhibitor complex

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