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2NW4
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CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN COMPLEX WITH BMS-564929
分子名称:Androgen receptor, 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE
著者Ostrowski, J., Kuhns, J.E., Lupisella, J.A., Manfredi, M.C., Beehler, B.C., Krystek, S.R., Bi, Y., Sun, C., Seethala, R., Golla, R., Sleph, P.G., Fura, A., An, Y., Kish, K.F., Sack, J.S., Mookhtiar, K.A., Grover, G.J., Hamann, L.G.
登録日2006-11-14
公開日2006-12-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Pharmacological and x-ray structural characterization of a novel selective androgen receptor modulator: potent hyperanabolic stimulation of skeletal muscle with hypostimulation of prostate in rats.
Endocrinology, 148, 2007
2Y1W
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CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
分子名称:HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN, 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE
著者Sack, J.S., Thieffine, S., Bandiera, T., Fasolini, M., Duke, G.J., Jayaraman, L., Kish, K.F., Klei, H.E., Purandare, A.V., Rosettani, P., Troiani, S., Xie, D., Bertrand, J.A.
登録日2010-12-10
公開日2011-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
2Y1X
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CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
分子名称:HISTONE-ARGININE METHYLTRANSFERASE CARM1, S-ADENOSYL-L-HOMOCYSTEINE, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ...
著者Sack, J.S., Thieffine, S., Bandiera, T., Fasolini, M., Duke, G.J., Jayaraman, L., Kish, K.F., Klei, H.E., Purandare, A.V., Rosettani, P., Troiani, S., Xie, D., Bertrand, J.A.
登録日2010-12-10
公開日2011-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
1I37
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CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN COMPLEX WITH DIHYDROTESTOSTERONE
分子名称:ANDROGEN RECEPTOR, 5-ALPHA-DIHYDROTESTOSTERONE
著者Sack, J.S.
登録日2001-02-13
公開日2001-03-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic structures of the ligand-binding domains of the androgen receptor and its T877A mutant complexed with the natural agonist dihydrotestosterone.
Proc.Natl.Acad.Sci.USA, 98, 2001
1I38
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CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH DIHYDROTESTOSTERONE
分子名称:ANDROGEN RECEPTOR, 5-ALPHA-DIHYDROTESTOSTERONE
著者Sack, J.S.
登録日2001-02-13
公開日2001-03-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic structures of the ligand-binding domains of the androgen receptor and its T877A mutant complexed with the natural agonist dihydrotestosterone.
Proc.Natl.Acad.Sci.USA, 98, 2001
3BV2
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MORPHOLINO PYRROLOTRIAZINE P38 ALPHA MAP KINASE INHIBITOR COMPOUND 30
分子名称:Mitogen-activated protein kinase 14, 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3BV3
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MORPHOLINO PYRROLOTRIAZINE P38 ALPHA MAP KINASE INHIBITOR COMPOUND 2
分子名称:Mitogen-activated protein kinase 14, 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3G0W
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CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN COMPLEX WITH AN N-ARYL-OXAZOLIDIN 2-IMINE INHIBITOR
分子名称:Androgen receptor, 2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile
著者Sack, J.S.
登録日2009-01-29
公開日2009-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献N-aryl-oxazolidin-2-imine muscle selective androgen receptor modulators enhance potency through pharmacophore reorientation.
J.Med.Chem., 52, 2009
3MVL
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P38 ALPHA MAP KINASE COMPLEXED WITH PYRROLOTRIAZINE INHIBITOR 7K
分子名称:Mitogen-activated protein kinase 14, 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3MVM
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P38 ALPHA MAP KINASE COMPLEXED WITH PYRROLOTRIAZINE INHIBITOR 7V
分子名称:Mitogen-activated protein kinase 14, 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3NWW
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P38 ALPHA KINASE COMPLEXED WITH A 2-AMINOTHIAZOL-5-YL-PYRIMIDINE BASED INHIBITOR
分子名称:Mitogen-activated protein kinase 14, 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea
著者Sack, J.S.
登録日2010-07-12
公開日2010-09-08
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4KIN
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CRYSTAL STRUCTURE OF MITOGEN-ACTIVATED PROTEIN KINASE 14 (P38-H5) COMPLEX WITH 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
分子名称:Mitogen-activated protein kinase 14, 5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
著者Sack, J.S., Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
4KIP
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CRYSTAL STRUCTURE OF MITOGEN-ACTIVATED PROTEIN KINASE 14 (P38-H5) COMPLEX WITH 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE
分子名称:Mitogen-activated protein kinase 14, 2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
著者Sack, J.S., Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
4KIQ
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CRYSTAL STRUCTURE OF MITOGEN-ACTIVATED PROTEIN KINASE 14 (P38-H5) COMPLEX WITH ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE
分子名称:Mitogen-activated protein kinase 14, ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate
著者Sack, J.S., Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013