Author results

4JPG
  • Download 4jpg
  • View 4jpg
Molmil generated image of 4jpg
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
  • Download 3rwp
  • View 3rwp
Molmil generated image of 3rwp
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
3FRZ
  • Download 3frz
  • View 3frz
Molmil generated image of 3frz
CRYSTAL STRUCTURE OF HCV NS5B RNA POLYMERASE IN COMPLEX WITH PF868554
Descriptor:RNA-directed RNA polymerase, (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one, N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide, ...
Authors:Parge, H.E.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor.
J.Med.Chem., 52, 2009
3RWQ
  • Download 3rwq
  • View 3rwq
Molmil generated image of 3rwq
DISCOVERY OF A NOVEL, POTENT AND SELECTIVE INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT KINASE (PDK1)
Descriptor:3-phosphoinositide-dependent protein kinase 1, [4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone, GLYCEROL, ...
Authors:Kazmirski, S., Kohls, D.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
4L3Q
  • Download 4l3q
  • View 4l3q
Molmil generated image of 4l3q
CRYSTAL STRUCTURE OF GLUCOKINASE-ACTIVATOR COMPLEX
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, 6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one
Authors:Gajiwala, K.S., Filipski, K.J.
Deposit date:2013-06-06
Release date:2013-07-24
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif.
Bioorg.Med.Chem.Lett., 23, 2013
2HAI
  • Download 2hai
  • View 2hai
Molmil generated image of 2hai
CRYSTAL STRUCTURE OF HCV NS5B RNA POLYMERASE IN COMPLEX WITH NOVEL CLASS OF DIHYDROPYRONE-CONTAINING INHIBITOR.
Descriptor:HEPATITIS C VIRUS NS5B RNA POLYMERASE, (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE
Authors:Li, H., Love, R.L.
Deposit date:2006-06-12
Release date:2006-09-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
4DCH
  • Download 4dch
  • View 4dch
Molmil generated image of 4dch
INSIGHTS INTO GLUCOKINASE ACTIVATION MECHANISM: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, ...
Authors:Greasley, S.E., Hickey, M., Feng, J., Garcia, E.
Deposit date:2012-01-17
Release date:2012-02-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012