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3P2B
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CRYSTAL STRUCTURE OF PI3K GAMMA WITH 3-(2-MORPHOLINO-6-(PYRIDIN-3-YLAMINO)PYRIMIDIN-4-YL)PHENOL
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
Authors:Knapp, M.S., Elling, R.A., Ornelas, E.
Deposit date:2010-10-01
Release date:2011-08-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Identification and structure-activity relationship of 2-morpholino 6-(3-hydroxyphenyl) pyrimidines, a class of potent and selective PI3 kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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
4NUS
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RSK2 N-TERMINAL KINASE IN COMPLEX WITH LJH685
Descriptor:Ribosomal protein S6 kinase alpha-3, 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol
Authors:Appleton, B.A.
Deposit date:2013-12-04
Release date:2014-03-05
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers.
Mol Cancer Res, 12, 2014
4NW5
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RSK2 N-TERMINAL KINASE IN COMPLEX WITH 2-AMINO-7-SUBSTITUTED BENZOXAZOLE COMPOUND 8
Descriptor:Ribosomal protein S6 kinase alpha-3, 7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
Authors:Appleton, B.A.
Deposit date:2013-12-05
Release date:2014-02-19
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4NW6
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RSK2 N-TERMINAL KINASE IN COMPLEX WITH 2-AMINO-7-SUBSTITUTED BENZOXAZOLE COMPOUND 27
Descriptor:Ribosomal protein S6 kinase alpha-3, 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
Authors:Appleton, B.A.
Deposit date:2013-12-05
Release date:2014-02-19
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
5UK8
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THE CO-STRUCTURE OF (R)-4-(6-(1-(CYCLOPROPYLSULFONYL)CYCLOPROPYL)-2-(1H-INDOL-4-YL)PYRIMIDIN-4-YL)-3-METHYLMORPHOLINE AND A RATIONALLY DESIGNED PI3K-ALPHA MUTANT THAT MIMICS ATR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine
Authors:Knapp, M.S., Mamo, M., Elling, R.A.
Deposit date:2017-01-20
Release date:2017-06-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
5UKJ
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THE CO-STRUCTURE OF N,N-DIMETHYL-4-[(6R)-6-METHYL-5-(1H-PYRROLO[2,3- B]PYRIDIN-4-YL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5- A]PYRAZIN-3-YL]BENZENESULFONAMIDE AND A RATIONALLY DESIGNED PI3K-ALPHA MUTANT THAT MIMICS ATR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
Authors:Knapp, M.S., Elling, R.A., Mamo, M.
Deposit date:2017-01-23
Release date:2017-05-10
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
5UL1
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THE CO-STRUCTURE OF 3-AMINO-6-(4-((1-(DIMETHYLAMINO)PROPAN-2-YL)SULFONYL)PHENYL)-N-PHENYLPYRAZINE-2-CARBOXAMIDE AND A RATIONALLY DESIGNED PI3K-ALPHA MUTANT THAT MIMICS ATR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide
Authors:Knapp, M.S., Elling, R.A., Mamo, M.
Deposit date:2017-01-23
Release date:2017-05-10
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
5D9K
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RSK2 N-TERMINAL KINASE IN COMPLEX WITH BI-D1870
Descriptor:Ribosomal protein S6 kinase alpha-3, (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL
Authors:Appleton, B.A.
Deposit date:2015-08-18
Release date:2015-09-02
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
5D9L
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RSK2 N-TERMINAL KINASE IN COMPLEX WITH BIS-PHENOL PYRAZOLE
Descriptor:Ribosomal protein S6 kinase alpha-3, 4,4'-(1H-pyrazole-3,4-diyl)diphenol, GLYCEROL
Authors:Appleton, B.A.
Deposit date:2015-08-18
Release date:2015-09-02
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015