PDB: 82 件ウェブページステータス検索Chemie searchBIRD

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4NO7	Human Glucokinase in complex with a nanomolar activator. 分子名称: (2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide, Glucokinase, alpha-D-glucopyranose 著者 Petit, P, Ferry, G, Antoine, M, Boutin, J.A, Kotschy, A, Perron-Sierra, F, Mamelli, L, Vuillard, L. 登録日 2013-11-19 公開日 2014-10-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The active conformation of human glucokinase is not altered by allosteric activators. Acta Crystallogr. D Biol. Crystallogr., 67, 2011
4RCH	Discovery of 2-Pyridyl Ureas as Glucokinase Activators 分子名称: 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea, Glucokinase, alpha-D-glucopyranose 著者 Voegtli, W, Vigers, G.P.A. 登録日 2014-09-16 公開日 2014-10-08 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of 2-pyridylureas as glucokinase activators. J.Med.Chem., 57, 2014
4MLE	Human Glucokinase in Complex with Novel Amino Thiazole Activator 分子名称: 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose 著者 Voegtli, W.C. 登録日 2013-09-06 公開日 2013-09-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Identification of a New Class of Glucokinase Activators through Structure-Based Design. J.Med.Chem., 56, 2013
4MLH	Human Glucokinase in Complex with a Novel Amino Thiazole Allosteric Activator 分子名称: 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose 著者 Voegtli, W.C. 登録日 2013-09-06 公開日 2013-09-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Identification of a New Class of Glucokinase Activators through Structure-Based Design. J.Med.Chem., 56, 2013
4LC9	Structural Basis for Regulation of Human Glucokinase by Glucokinase Regulatory Protein 分子名称: 6-O-phosphono-beta-D-fructofuranose, Glucokinase, Glucokinase regulatory protein, ... 著者 Beck, T, Miller, B.G. 登録日 2013-06-21 公開日 2013-09-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Structural basis for regulation of human glucokinase by glucokinase regulatory protein. Biochemistry, 52, 2013
4L3Q	Crystal structure of glucokinase-activator complex 分子名称: 6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one, Glucokinase, alpha-D-glucopyranose 著者 Gajiwala, K.S, Filipski, K.J. 登録日 2013-06-06 公開日 2013-07-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif. Bioorg.Med.Chem.Lett., 23, 2013
3W0L	The crystal structure of Xenopus Glucokinase and Glucokinase Regulatory Protein complex 分子名称: FRUCTOSE -6-PHOSPHATE, Glucokinase, Glucokinase regulatory protein, ... 著者 Choi, J.M, Seo, M.H, Kyeong, H.H, Kim, E, Kim, H.S. 登録日 2012-10-31 公開日 2013-07-17 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.92 Å) 主引用文献 Molecular basis for the role of glucokinase regulatory protein as the allosteric switch for glucokinase Proc.Natl.Acad.Sci.USA, 110, 2013
4FOI	Crystal Structure of recombinant human Hexokinase type I mutant D413N with Glucose 1,6-bisphosphate 分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, CITRIC ACID, Hexokinase-1, ... 著者 Shen, L, Honzatko, R.B. 登録日 2012-06-20 公開日 2013-07-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 DETERMINATION of SITE AFFINITY CONSTANTS FOR PRODUCT INHIBITION OF WILD-TYPE AND MUTANT FORMS OF RECOMBINANT HUMAN HEXOKINASE TYPE I To be Published
4FPA	Crystal Structure of recombinant human Hexokinase type I mutant D413N Glucose 6-Phosphate 分子名称: 6-O-phosphono-beta-D-glucopyranose, CITRIC ACID, Hexokinase-1, ... 著者 Shen, L, Honzatko, R.B. 登録日 2012-06-21 公開日 2013-07-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 DETERMINATION OF SITE AFFINITY CONSTANTS FOR PRODUCT INHIBITION of WILD-TYPE AND MUTANT FORMS OF RECOMBINANT HUMAN HEXOKINASE TYPE I To be Published
4FPB	Crystal Structure of Recombinant Human Hexokinase Type I with 1,5-Anhydroglucitol 6-Phosphate 分子名称: 1,5-anhydro-6-O-phosphono-D-glucitol, CITRIC ACID, Hexokinase-1, ... 著者 Shen, L, Honzatko, R.B. 登録日 2012-06-21 公開日 2013-07-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I to be published
4FOE	Crystal Structure of recombinant human Hexokinase type I with Mannose 6-Phosphate 分子名称: 6-O-phosphono-beta-D-mannopyranose, CITRIC ACID, Hexokinase-1, ... 著者 Shen, L, Honzatko, R.B. 登録日 2012-06-20 公開日 2013-07-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I to be published
4F9O	Crystal Structure of recombinant human Hexokinase type I with 2-deoxy-Glucose 6-Phosphate 分子名称: 2-deoxy-6-O-phosphono-beta-D-glucopyranose, CITRIC ACID, Hexokinase-1, ... 著者 Shen, L, Honzatko, R.B. 登録日 2012-05-19 公開日 2013-06-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I to be published
4JAX	Crystal structure of dimeric KlHxk1 in crystal form X 分子名称: GLYCEROL, Hexokinase, PHOSPHATE ION 著者 Kuettner, E.B, Strater, N, Kettner, K, Otto, A, Lilie, H, Golbik, R.P, Kriegel, T.M. 登録日 2013-02-19 公開日 2013-05-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 In vivo phosphorylation and in vitro autophosphorylation-inactivation of Kluyveromyces lactis hexokinase KlHxk1. Biochem.Biophys.Res.Commun., 435, 2013
4IXC	Crystal structure of Human Glucokinase in complex with a small molecule activator. 分子名称: (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ... 著者 Ogg, D.J, Hargreaves, D, Gerhardt, S. 登録日 2013-01-25 公開日 2013-04-24 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content To be Published
4IWV	Crystals structure of Human Glucokinase in complex with small molecule activator 分子名称: (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ... 著者 Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M. 登録日 2013-01-24 公開日 2013-04-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485 To be Published
4ISF	Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide 分子名称: (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... 著者 Hosfield, D, Skene, R.J. 登録日 2013-01-16 公開日 2013-03-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Design, synthesis and SAR of novel glucokinase activators. Bioorg.Med.Chem.Lett., 23, 2013
4ISE	Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide 分子名称: (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... 著者 Hosfield, D, Skene, R.J. 登録日 2013-01-16 公開日 2013-03-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Design, synthesis and SAR of novel glucokinase activators. Bioorg.Med.Chem.Lett., 23, 2013
4ISG	Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide 分子名称: (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... 著者 Hosfield, D, Skene, R.J. 登録日 2013-01-16 公開日 2013-03-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.645 Å) 主引用文献 Design, synthesis and SAR of novel glucokinase activators. Bioorg.Med.Chem.Lett., 23, 2013
3VEV	Glucokinase in complex with an activator and glucose 分子名称: (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ... 著者 Liu, S. 登録日 2012-01-09 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
3VF6	Glucokinase in complex with glucose and activator 分子名称: 6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid, Glucokinase, SODIUM ION, ... 著者 Liu, S. 登録日 2012-01-09 公開日 2012-02-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
4DHY	Crystal structure of human glucokinase in complex with glucose and activator 分子名称: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... 著者 Liu, S. 登録日 2012-01-30 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
3VEY	glucokinase in complex with glucose and ATPgS 分子名称: 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... 著者 Liu, S. 登録日 2012-01-09 公開日 2012-02-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
4DCH	Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations 分子名称: (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... 著者 Greasley, S.E, Hickey, M, Feng, J, Garcia, E. 登録日 2012-01-17 公開日 2012-02-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
3S41	Glucokinase in complex with activator and glucose 分子名称: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... 著者 Liu, S. 登録日 2011-05-18 公開日 2011-09-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus MEDCHEMCOMM, 2, 2011
3QIC	The structure of human glucokinase E339K mutation 分子名称: GLYCEROL, Glucokinase, alpha-D-glucopyranose 著者 Liu, Q, Liu, S, Liu, J. 登録日 2011-01-27 公開日 2011-06-01 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of E339K mutated human glucokinase reveals changes in the ATP binding site. Febs Lett., 585, 2011

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