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1XMI
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CRYSTAL STRUCTURE OF HUMAN F508A NBD1 DOMAIN WITH ATP
分子名称:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE
著者Lewis, H.A., Zhao, X., Wang, C., Sauder, J.M., Rooney, I., Noland, B.W., Lorimer, D., Kearins, M.C., Conners, K., Condon, B., Maloney, P.C., Guggino, W.B., Hunt, J.F., Emtage, S., Structural GenomiX
登録日2004-10-02
公開日2004-11-09
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure
J.Biol.Chem., 280, 2005
1XMJ
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CRYSTAL STRUCTURE OF HUMAN DELTAF508 HUMAN NBD1 DOMAIN WITH ATP
分子名称:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE
著者Lewis, H.A., Zhao, X., Wang, C., Sauder, J.M., Rooney, I., Noland, B.W., Lorimer, D., Kearins, M.C., Conners, K., Condon, B., Maloney, P.C., Guggino, W.B., Hunt, J.F., Emtage, S., Structural GenomiX
登録日2004-10-02
公開日2004-11-09
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure
J.Biol.Chem., 280, 2005
4I5I
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CRYSTAL STRUCTURE OF THE SIRT1 CATALYTIC DOMAIN BOUND TO NAD AND AN EX527 ANALOG
分子名称:NAD-dependent protein deacetylase sirtuin-1, (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Zhao, X., Allison, D., Condon, B., Zhang, F., Gheyi, T., Zhang, A., Ashok, S., Russell, M., Macewan, I., Qian, Y., Jamison, J.A., Luz, J.G.
登録日2012-11-28
公開日2013-01-23
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.
J.Med.Chem., 56, 2013
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
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
4LSJ
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CRYSTAL STRUCTURE OF THE GLUCOCORTICOID RECEPTOR LIGAND BINDING DOMAIN BOUND TO A DIBENZOXAPINE SULFONAMIDE
分子名称:Glucocorticoid receptor, D30 peptide, N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
著者Carson, M., Luz, J.G., Clawson, D., Coghlan, M.
登録日2013-07-22
公開日2014-01-29
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design.
J.Med.Chem., 57, 2014
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
6CCY
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CRYSTAL STRUCTURE OF AKT1 IN COMPLEX WITH A SELECTIVE INHIBITOR
分子名称:RAC-alpha serine/threonine-protein kinase,PIFtide, (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
著者Wang, Y., Stout, S.
登録日2018-02-07
公開日2018-05-02
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Bioorg. Med. Chem. Lett., 28, 2018