Author results

4PTC
  • Download 4ptc
  • View 4ptc
Molmil generated image of 4ptc
STRUCTURE OF A CARBOXAMIDE COMPOUND (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) TO GSK3B
Descriptor:Glycogen synthase kinase-3 beta, 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-oxo-4H-1lambda~4~,3-thiazole-5-carboxamide
Authors:Lewis, H.A., Sivaprakasam, P., Kish, K., Pokross, M., Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
4PTE
  • Download 4pte
  • View 4pte
Molmil generated image of 4pte
STRUCTURE OF A CARVOXAMIDE COMPOUND (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) TO GSK3B
Descriptor:Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide
Authors:Lewis, H.A., Sivaprakasam, P., Kish, K., Pokross, M., Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
4PTG
  • Download 4ptg
  • View 4ptg
Molmil generated image of 4ptg
STRUCTURE OF A CARBOXAMINE COMPOUND (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) TO GSK3B
Descriptor:Glycogen synthase kinase-3 beta, 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide
Authors:Lewis, H.A., Sivaprakasam, P., Kish, K., Pokross, M., Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (2.361 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
1J4R
  • Download 1j4r
  • View 1j4r
Molmil generated image of 1j4r
FK506 BINDING PROTEIN COMPLEXED WITH FKB-001
Descriptor:FK506-BINDING PROTEIN, 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTER, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2001-10-29
Release date:2001-12-19
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2-Aryl-2,2-difluoroacetamide FKBP12 ligands: synthesis and X-ray structural studies.
Org.Lett., 3, 2001
5F94
  • Download 5f94
  • View 5f94
Molmil generated image of 5f94
CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH COMPOUND 15: 2-[(CYCLOPROPYLCARBONYL)AMINO]-N-(4-METHOXYPYRIDIN-3-YL)PYRIDINE-4-CARBOXAMIDE
Descriptor:Glycogen synthase kinase-3 beta, 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
Authors:Lewis, H.A., Kish, K., Luo, G., Dubowchick, G.M.
Deposit date:2015-12-09
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
5F95
  • Download 5f95
  • View 5f95
Molmil generated image of 5f95
CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH COMPOUND 18: 2-[(CYCLOPROPYLCARBONYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIDINE-4-CARBOXAMIDE
Descriptor:Glycogen synthase kinase-3 beta, 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
Authors:Lewis, H.A., Kish, K., Luo, G., Dubowchick, G.M.
Deposit date:2015-12-09
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016