Author results

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
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
1XBA
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CRYSTAL STRUCTURE OF APO SYK TYROSINE KINASE DOMAIN
分子名称:Tyrosine-protein kinase SYK
著者Atwell, S., Adams, J.M., Badger, J., Buchanan, M.D., Feil, I.K., Froning, K.J., Gao, X., Hendle, J., Keegan, K., Leon, B.C., Muller-Deickmann, H.J., Nienaber, V.L., Noland, B.W., Post, K., Rajashankar, K.R., Ramos, A., Russell, M., Burley, S.K., Buchanan, S.G.
登録日2004-08-30
公開日2004-11-02
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase.
J.Biol.Chem., 279, 2004
1XBB
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CRYSTAL STRUCTURE OF THE SYK TYROSINE KINASE DOMAIN WITH GLEEVEC
分子名称:Tyrosine-protein kinase SYK, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
著者Nienaber, V.L., Atwell, S., Adams, J.M., Badger, J., Buchanan, M.D., Feil, I.K., Froning, K.J., Gao, X., Hendle, J., Keegan, K., Leon, B.C., Muller-Deickmann, H.J., Noland, B.W., Post, K., Rajashankar, K.R., Ramos, A., Russell, M., Burley, S.K., Buchanan, S.G.
登録日2004-08-30
公開日2004-11-02
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A Novel Mode of Gleevec Binding Is Revealed by the Structure of Spleen Tyrosine Kinase
J.Biol.Chem., 279, 2004
1XBC
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CRYSTAL STRUCTURE OF THE SYK TYROSINE KINASE DOMAIN WITH STAUROSPORIN
分子名称:Tyrosine-protein kinase SYK, STAUROSPORINE
著者Badger, J., Atwell, S., Adams, J.M., Buchanan, M.D., Feil, I.K., Froning, K.J., Gao, X., Hendle, J., Keegan, K., Leon, B.C., Muller-Deickmann, H.J., Nienaber, V.L., Noland, B.W., Post, K., Rajashankar, K.R., Ramos, A., Russell, M., Burley, S.K., Buchanan, S.G.
登録日2004-08-30
公開日2004-11-02
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase
J.Biol.Chem., 279, 2004
2IA1
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CRYSTAL STRUCTURE OF PROTEIN BH3703 FROM BACILLUS HALODURANS, PFAM DUF600
分子名称:BH3703 protein, SULFATE ION, GLYCEROL
著者Ramagopal, U.A., Russell, M., Toro, R., Freeman, J.C., Reyes, C., Gheyi, T., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-09-06
公開日2006-10-03
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure of hypothetical protein BH3703 from Bacillus halodurans
To be Published
3FM3
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CRYSTAL STRUCTURE OF AN ENCEPHALITOZOON CUNICULI METHIONINE AMINOPEPTIDASE TYPE 2
分子名称:Methionine aminopeptidase 2, FE (III) ION, SULFATE ION
著者Alvarado, J.J., Russell, M., Zhang, A., Adams, J., Toro, R., Burley, S.K., Weiss, L.M., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-19
公開日2009-01-13
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470.
Mol.Biochem.Parasitol., 168, 2009
3FMQ
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CRYSTAL STRUCTURE OF AN ENCEPHALITOZOON CUNICULI METHIONINE AMINOPEPTIDASE TYPE 2 WITH ANGIOGENESIS INHIBITOR FUMAGILLIN BOUND
分子名称:Methionine aminopeptidase 2, FE (III) ION, FUMAGILLIN, ...
著者Alvarado, J.J., Russell, M., Zhang, A., Adams, J., Toro, R., Burley, S.K., Weiss, L.M., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-22
公開日2009-01-13
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470.
Mol.Biochem.Parasitol., 168, 2009
3FMR
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CRYSTAL STRUCTURE OF AN ENCEPHALITOZOON CUNICULI METHIONINE AMINOPEPTIDASE TYPE 2 WITH ANGIOGENESIS INHIBITOR TNP470 BOUND
分子名称:Methionine aminopeptidase 2, FE (III) ION, (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, ...
著者Alvarado, J.J., Russell, M., Zhang, A., Adams, J., Toro, R., Burley, S.K., Weiss, L.M., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-22
公開日2009-01-13
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470.
Mol.Biochem.Parasitol., 168, 2009
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
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
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
2FH7
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CRYSTAL STRUCTURE OF THE PHOSPHATASE DOMAINS OF HUMAN PTP SIGMA
分子名称:Receptor-type tyrosine-protein phosphatase S
著者Alvarado, J., Udupi, R., Smith, D., Koss, J., Wasserman, S.R., Ozyurt, S., Atwell, S., Powell, A., Kearins, M.C., Rooney, I., Maletic, M., Bain, K.T., Freeman, J.C., Russell, M., Thompson, D.A., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2005-12-23
公開日2006-01-10
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
2IQ1
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CRYSTAL STRUCTURE OF HUMAN PPM1K
分子名称:Protein phosphatase 2C kappa, PPM1K, MAGNESIUM ION
著者Bonanno, J.B., Freeman, J., Russell, M., Bain, K.T., Adams, J., Pelletier, L., Wasserman, S., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-10-12
公開日2006-11-07
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
4XAQ
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MGLUR2 ECD AND MGLUR3 ECD WITH LIGANDS
分子名称:Metabotropic glutamate receptor 2, (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, SULFATE ION, ...
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAR
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MGLUR2 ECD AND MGLUR3 ECD COMPLEX WITH LIGANDS
分子名称:Metabotropic glutamate receptor 3, (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-11
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAS
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MGLUR2 ECD LIGAND COMPLEX
分子名称:Metabotropic glutamate receptor 2, (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
5CNI
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MGLU2 WITH GLUTAMATE
分子名称:Metabotropic glutamate receptor 2, GAMMA-L-GLUTAMIC ACID, CHLORIDE ION, ...
著者Clawson, D.K., Atwell, S., Monn, J.A.
登録日2015-07-17
公開日2015-09-09
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNJ
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MGLUR2 WITH GLUTAMATE ANALOG
分子名称:Metabotropic glutamate receptor 2, N-ACETYL-D-GLUCOSAMINE, (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
著者Monn, J.A., Clawson, D.K.
登録日2015-07-17
公開日2015-09-09
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNK
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MGLUR3 WITH GLUTAMATE
分子名称:Metabotropic glutamate receptor 3, GAMMA-L-GLUTAMIC ACID, IODIDE ION
著者Monn, J.A., Clawson, D.K.
登録日2015-07-17
公開日2015-09-09
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNM
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MGLUR3 COMPLEXED WITH GLUTAMATE ANALOG
分子名称:Metabotropic glutamate receptor 3, (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, ...
著者Monn, J.A., Clawson, D.K., McKinzie, D.
登録日2015-07-17
公開日2015-09-09
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
6BL8
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PREDICTING THE CONFORMATIONAL VARIABILITY OF ABL TYROSINE KINASE USING MOLECULAR DYNAMICS SIMULATIONS AND MARKOV STATE MODELS
分子名称:Tyrosine-protein kinase ABL1, PURVALANOL B, SULFATE ION
著者Clawson, D.K., Gao, C.
登録日2017-11-09
公開日2018-03-07
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
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