Author results

4N6Y
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PIM1 COMPLEXED WITH A PHENYLCARBOXAMIDE
Descriptor:Serine/threonine-protein kinase pim-1, 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
Authors:Bellamacina, C.R., Le, V., Shu, W., Burger, M.T., Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4N6Z
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PIM1 COMPLEXED WITH A PYRIDYLCARBOXAMIDE
Descriptor:Serine/threonine-protein kinase pim-1, 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL
Authors:Bellamacina, C.R., Le, V., Shu, W., Burger, M.T., Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4N70
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PIM1 COMPLEXED WITH A PYRIDYLCARBOXAMIDE
Descriptor:Serine/threonine-protein kinase pim-1, N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Authors:Bellamacina, C.R., Le, V., Shu, W., Burger, M.T., Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
5FI4
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DISCOVERY OF IMIDAZO[1,2-A]-PYRIDINE INHIBITORS OF PAN-PI3 KINASES THAT ARE EFFICACIOUS IN A MOUSE XENOGRAFT MODEL
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, GLYCEROL, ...
Authors:Elling, R.A., Knapp, M.S., Han, W., Daniel, L.M., Xy, Y., Burger, M.T., Ni, Z., Smith, A., Lan, J., Williams, T., Verhagen, J., Huh, K., Merritt, H., Chan, J., Kaufman, S., Voliva, C.F., Pecchi, S.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
5DWR
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IDENTIFICATION OF N-(4-((1R,3S,5S)-3-AMINO-5-METHYLCYCLOHEXYL)PYRIDIN-3-YL)-6-(2,6-DIFLUOROPHENYL)-5-FLUOROPICOLINAMIDE (PIM447), A POTENT AND SELECTIVE PROVIRAL INSERTION SITE OF MOLONEY MURINE LEUKEMIA (PIM) 1,2 AND 3 KINASE INHIBITOR IN CLINICAL TRIALS FOR HEMATOLOGICAL MALIGNANCIES
Descriptor:Serine/threonine-protein kinase pim-1, N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Authors:Bellamacina, C., Bussiere, D., Burger, M.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
3TJP
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CRYSTAL STRUCTURE OF PI3K GAMMA WITH N6-(3,4-DIMETHOXYPHENYL)-2-MORPHOLINO-[4,5'-BIPYRIMIDINE]-2',6-DIAMINE
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine, SULFATE ION
Authors:Knapp, M.S., Elling, R.A., Ornelas, E.
Deposit date:2011-08-24
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Identification of 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine (NVP-BKM120) as a Potent, Selective and Orally Bioavailable Class I PI3 Kinase Inhibitor for the Treatment of Cancer
To be Published
5IIS
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DESIGN, SYNTHESIS AND STRUCTURE ACTIVITY RELATIONSHIP OF POTENT PAN-PIM KINASE INHIBITORS DERIVED FROM THE PYRIDYL-AMIDE SCAFFOLD
Descriptor:Serine/threonine-protein kinase pim-1, DI(HYDROXYETHYL)ETHER, 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide
Authors:Bellamacina, C., Bussiere, D., Burger, M.
Deposit date:2016-03-01
Release date:2016-04-06
Last modified:2016-05-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold.
Bioorg.Med.Chem.Lett., 26, 2016
3T9I
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PIM1 COMPLEXED WITH A NOVEL 3,6-DISUBSTITUTED INDOLE AT 2.6 ANG RESOLUTION
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol
Authors:Bellamacina, C., Shu, W., Le, V., Nishiguchi, G., Bussiere, D.
Deposit date:2011-08-02
Release date:2011-10-12
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases.
Bioorg.Med.Chem.Lett., 21, 2011
5VAL
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BRAF IN COMPLEX WITH N-(3-(TERT-BUTYL)PHENYL)-4-METHYL-3-(6-MORPHOLINOPYRIMIDIN-4-YL)BENZAMIDE
Descriptor:Serine/threonine-protein kinase B-raf, N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide
Authors:Mamo, M., Appleton, B.A.
Deposit date:2017-03-27
Release date:2017-06-28
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
5VAM
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BRAF IN COMPLEX WITH RAF709
Descriptor:Serine/threonine-protein kinase B-raf, N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide
Authors:Mamo, M., Appleton, B.A.
Deposit date:2017-03-27
Release date:2017-06-28
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017