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4JPG
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2-((1H-BENZO[D]IMIDAZOL-1-YL)METHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONES AS NOVEL PKM2 ACTIVATORS
Descriptor:Pyruvate kinase isozymes M1/M2, BETA-FRUCTOSE-1,6-DIPHOSPHATE, 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Authors:Greasley, S.E., Hickey, M., Phonephaly, H., Cronin, C.
Deposit date:2013-03-19
Release date:2013-05-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators.
Bioorg.Med.Chem.Lett., 23, 2013
3RWP
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DISCOVERY OF A NOVEL, POTENT AND SELECTIVE INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT KINASE (PDK1)
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Greasley, S.E., Hickey, M., Ferre, R.-A., Krauss, M., Cronin, C.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
3SC1
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NOVEL ISOQUINOLONE PDK1 INHIBITORS DISCOVERED THROUGH FRAGMENT-BASED LEAD DISCOVERY
Descriptor:3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, SULFATE ION, ...
Authors:Greasley, S.E., Ferre, R.-A., Krauss, M., Cronin, C.
Deposit date:2011-06-06
Release date:2011-10-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery.
J Comput Aided Mol Des, 25, 2011