Author results

4GQB
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CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX
分子名称:Protein arginine N-methyltransferase 5, Methylosome protein 50, Histone H4 peptide, ...
著者Antonysamy, S., Bonday, Z., Campbell, R., Doyle, B., Druzina, Z., Gheyi, T., Han, B., Jungheim, L.N., Qian, Y., Rauch, C., Russell, M., Sauder, J.M., Wasserman, S.R., Weichert, K., Willard, F.S., Zhang, A., Emtage, S.
登録日2012-08-22
公開日2012-10-17
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of the human PRMT5:MEP50 complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
4MI5
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CRYSTAL STRUCTURE OF THE EZH2 SET DOMAIN
分子名称:Histone-lysine N-methyltransferase EZH2, SULFATE ION, ZINC ION
著者Antonysamy, S., Condon, B., Druzina, Z., Bonanno, J., Gheyi, T., Macewan, I., Zhang, A., Ashok, S., Russell, M., Luz, J.G.
登録日2013-08-30
公開日2014-01-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Context of Disease-Associated Mutations and Putative Mechanism of Autoinhibition Revealed by X-Ray Crystallographic Analysis of the EZH2-SET Domain.
Plos One, 8, 2013
3E62
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FRAGMENT BASED DISCOVERY OF JAK-2 INHIBITORS
分子名称:Tyrosine-protein kinase JAK2, 5-bromo-1H-indazol-3-amine
著者Antonysamy, S., Fang, W., Hirst, G., Park, F., Russell, M., Smyth, L., Sprengeler, P., Stappenbeck, F., Steensma, R., Thompson, D.A., Wilson, M., Wong, M., Zhang, A., Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E63
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FRAGMENT BASED DISCOVERY OF JAK-2 INHIBITORS
分子名称:Tyrosine-protein kinase JAK2, 5-phenyl-1H-indazol-3-amine
著者Antonysamy, S., Fang, W., Hirst, G., Park, F., Russell, M., Smyth, L., Sprengeler, P., Stappenbeck, F., Steensma, R., Thompson, D.A., Wilson, M., Wong, M., Zhang, A., Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E64
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FRAGMENT BASED DISCOVERY OF JAK-2 INHIBITORS
分子名称:Tyrosine-protein kinase JAK2, 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
著者Antonysamy, S., Fang, W., Hirst, G., Park, F., Russell, M., Smyth, L., Sprengeler, P., Stappenbeck, F., Steensma, R., Thompson, D.A., Wilson, M., Wong, M., Zhang, A., Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5VB9
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IL-17A IN COMPLEX WITH PEPTIDE
分子名称:Interleukin-17A, Peptide inhibitor, 1,2-ETHANEDIOL, ...
著者Antonysamy, S., Russell, M., Zhang, A., Groshong, C., Manglicmot, D., Lu, F., Benach, J., Wasserman, S.R., Zhang, F., Afshar, S., Bina, H., Broughton, H., Chalmers, M., Dodge, J., Espada, A., Jones, S., Ting, J.P., Woodman, M.
登録日2017-03-28
公開日2018-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery.
PLoS ONE, 13, 2018
6C2R
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AURORA A LIGAND COMPLEX
分子名称:Aurora kinase A, SULFATE ION, (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid
著者Antonysamy, S., Pustilnik, A., Manglicmot, D., Froning, K., Weichert, K., Wasserman, S.
登録日2018-01-08
公開日2019-01-23
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
6C2T
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AURORA A LIGAND COMPLEX
分子名称:Aurora kinase A, (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Antonysamy, S., Pustilnik, A., Manglicmot, D., Froning, K., Weichert, K., Wasserman, S.
登録日2018-01-08
公開日2019-01-23
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
6CKC
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STRUCTURE OF PRMT5:MEP50 IN COMPLEX WITH LLY-283, A POTENT AND SELECTIVE INHIBITOR OF PRMT5, WITH ANTITUMOR ACTIVITY
分子名称:Protein arginine N-methyltransferase 5, Methylosome protein 50, 7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
著者Antonysamy, S.
登録日2018-02-27
公開日2018-05-16
最終更新日2018-08-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity.
ACS Med Chem Lett, 9, 2018
3GD7
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CRYSTAL STRUCTURE OF HUMAN NBD2 COMPLEXED WITH N6-PHENYLETHYL-ATP (P-ATP)
分子名称:Fusion complex of Cystic fibrosis transmembrane conductance regulator, residues 1193-1427 and Maltose/maltodextrin import ATP-binding protein malK, residues 219-371, ...
著者Atwell, S., Antonysamy, S., Conners, K., Emtage, S., Gheyi, T., Lewis, H.A., Lu, F., Sauder, J.M., Wasserman, S.R., Zhao, X.
登録日2009-02-23
公開日2010-03-02
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP)
To be Published
4WUY
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CRYSTAL STRUCTURE OF PROTEIN LYSINE METHYLTRANSFERASE SMYD2 IN COMPLEX WITH LLY-507, A CELL-ACTIVE, POTENT AND SELECTIVE INHIBITOR
分子名称:N-lysine methyltransferase SMYD2, 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Nguyen, H., Allali-Hassani, A., Antonysamy, S., Chang, S., Chen, L.H., Curtis, C., Emtage, S., Fan, L., Gheyi, T., Li, F., Liu, S., Martin, J.R., Mendel, D., Olsen, J.B., Pelletier, L., Shatseva, T., Wu, S., Zhang, F.F., Arrowsmith, C.H., Brown, P.J., Campbell, R.M., Garcia, B.A., Barsyte-Lovejoy, D., Mader, M., Vedadi, M.
登録日2014-11-04
公開日2015-04-08
最終更新日2015-06-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
5KZN
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METABOTROPIC GLUTAMATE RECEPTOR
分子名称:Metabotropic glutamate receptor 2, N-ACETYL-D-GLUCOSAMINE, MAGNESIUM ION
著者Chappell, M.D., Li, R., Smith, S.C., Dressman, B.A., Tromiczak, E.G., Tripp, A.E., Blanco, M.-J., Vetman, T., Quimby, S.J., Matt, J., Britton, T., Fivush, A.M., Schkeryantz, J.M., Mayhugh, D., Erickson, J.A., Bures, M., Jaramillo, C., Carpintero, M., de Diego, J.E., Barberis, M., Garcia-Cerrada, S., Soriano, J.F., Antonysamy, S., Atwell, S., MacEwan, I., Condon, B., Bradley, C., Wang, J., Zhang, A., Conners, K., Groshong, C., Wasserman, S.R., Koss, J.W., Witkin, J.M., Li, X., Overshiner, C., Wafford, K.A., Seidel, W., Wang, X.-S., Heinz, B.A., Swanson, S., Catlow, J., Bedwell, D., Monn, J.A., Mitch, C.H., Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
5KZQ
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METABOTROPIC GLUTAMATE RECEPTOR IN COMPLEX WITH ANTAGONIST (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-AZANYL-3-[[3,4-BIS(FLUORANYL)PHENYL]SULFANYLMETHYL]-4-OXIDANYL-BICYCLO[3.1.0]HEXANE-2,6-DICARBOXYLIC ACID
分子名称:Metabotropic glutamate receptor 2, (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, N-ACETYL-D-GLUCOSAMINE
著者Chappell, M.D., Li, R., Smith, S.C., Dressman, B.A., Tromiczak, E.G., Tripp, A.E., Blanco, M.-J., Vetman, T., Quimby, S.J., Matt, J., Britton, T., Fivush, A.M., Schkeryantz, J.M., Mayhugh, D., Erickson, J.A., Bures, M., Jaramillo, C., Carpintero, M., de Diego, J.E., Barberis, M., Garcia-Cerrada, S., Soriano, J.F., Antonysamy, S., Atwell, S., MacEwan, I., Condon, B., Bradley, C., Wang, J., Zhang, A., Conners, K., Groshong, C., Wasserman, S.R., Koss, J.W., Witkin, J.M., Li, X., Overshiner, C., Wafford, K.A., Seidel, W., Wang, X.-S., Heinz, B.A., Swanson, S., Catlow, J., Bedwell, D., Monn, J.A., Mitch, C.H., Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
4YK5
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CRYSTAL STRUCTURES OF MPGES-1 INHIBITOR COMPLEXES
分子名称:Prostaglandin E synthase, 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Luz, J.G., Antonysamy, S., Kuklish, S.L., Fisher, M.J.
登録日2015-03-04
公開日2015-07-15
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
4YL0
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CRYSTAL STRUCTURES OF MPGES-1 INHIBITOR COMPLEXES
分子名称:Prostaglandin E synthase, 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile, GLUTATHIONE, ...
著者Luz, J.G., Antonysamy, S., Kuklish, S.L., Fisher, M.J.
登録日2015-03-04
公開日2015-06-10
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
4YL1
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CRYSTAL STRUCTURES OF MPGES-1 INHIBITOR COMPLEXES
分子名称:Prostaglandin E synthase, 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
著者Luz, J.G., Antonysamy, S., Kuklish, S.L., Fisher, M.J.
登録日2015-03-04
公開日2015-06-10
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
4YL3
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CRYSTAL STRUCTURES OF MPGES-1 INHIBITOR COMPLEXES
分子名称:Prostaglandin E synthase, 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine, GLUTATHIONE, ...
著者Luz, J.G., Antonysamy, S., Kuklish, S.L., Fisher, M.J.
登録日2015-03-04
公開日2015-07-08
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
5BQG
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CRYSTAL STRUCTURE OF MPGES-1 BOUND TO AN INHIBITOR
分子名称:Prostaglandin E synthase, 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, GLUTATHIONE, ...
著者Fisher, M.J., Schiffler, M.A., Kuklish, S.L., Antonysamy, S., Luz, J.G.
登録日2015-05-29
公開日2016-04-13
実験手法X-RAY DIFFRACTION (1.436 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5BQH
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DISCOVERY OF A POTENT AND SELECTIVE MPGES-1 INHIBITOR FOR THE TREATMENT OF PAIN
分子名称:Prostaglandin E synthase, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, GLUTATHIONE, ...
著者Fisher, M.J., Schiffler, M.A., Kuklish, S.L., Antonysamy, S., Luz, J.G.
登録日2015-05-29
公開日2016-04-13
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5BQI
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DISCOVERY OF A POTENT AND SELECTIVE MPGES-1 INHIBITOR FOR THE TREATMENT OF PAIN
分子名称:Prostaglandin E synthase, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ...
著者Fisher, M.J., Schiffler, M.A., Kuklish, S.L., Antonysamy, S., Luz, J.G.
登録日2015-05-29
公開日2016-04-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5T36
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CRYSTAL STRUCTURE OF MPGES-1 BOUND TO INHIBITOR
分子名称:Prostaglandin E synthase, 4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid, GLUTATHIONE, ...
著者Luz, J.G., Antonysamy, S., Partridge, K., Fisher, M.
登録日2016-08-24
公開日2017-03-01
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
5T37
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CRYSTAL STRUCTURE OF MPGES-1 BOUND TO INHIBITOR
分子名称:Prostaglandin E synthase, 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide, GLUTATHIONE, ...
著者Luz, J.G., Antonysamy, S., Partridge, K., Fisher, M.
登録日2016-08-24
公開日2017-03-01
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
5TL9
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CRYSTAL STRUCTURE OF MPGES-1 BOUND TO INHIBITOR
分子名称:Prostaglandin E synthase, 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid, GLUTATHIONE, ...
著者Luz, J.G., Antonysamy, S., Partridge, K., Fisher, M.
登録日2016-10-10
公開日2017-03-01
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
3DLS
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CRYSTAL STRUCTURE OF HUMAN PAS KINASE BOUND TO ADP
分子名称:PAS domain-containing serine/threonine-protein kinase, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE
著者Antonysamy, S., Bonanno, J.B., Romero, R., Russell, M., Iizuka, M., Gheyi, T., Wasserman, S.R., Rutter, J., Sauder, J.M., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-06-29
公開日2008-08-26
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural bases of PAS domain-regulated kinase (PASK) activation in the absence of activation loop phosphorylation.
J.Biol.Chem., 285, 2010
1O60
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CRYSTAL STRUCTURE OF KDO-8-PHOSPHATE SYNTHASE
分子名称:2-dehydro-3-deoxyphosphooctonate aldolase
著者Structural GenomiX
登録日2003-10-23
公開日2003-11-11
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005