1O6L
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![BU of 1o6l by Molmil](/molmil-images/mine/1o6l) | Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex with AMP-PNP and GSK3 peptide | Descriptor: | GLYCOGEN SYNTHASE KINASE-3 BETA, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Yang, J, Cron, P, Good, V.M, Thompson, V, Hemmings, B.A, Barford, D. | Deposit date: | 2002-10-08 | Release date: | 2002-11-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of an Activated Akt/Protein Kinase B Ternary Complex with Gsk-3 Peptide and AMP-Pnp Nat.Struct.Biol., 9, 2002
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1O6K
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![BU of 1o6k by Molmil](/molmil-images/mine/1o6k) | Structure of activated form of PKB kinase domain S474D with GSK3 peptide and AMP-PNP | Descriptor: | GLYCOGEN SYNTHASE KINASE-3 BETA, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Yang, J, Cron, P, Good, V.M, Thompson, V, Hemmings, B.A, Barford, D. | Deposit date: | 2002-10-08 | Release date: | 2002-11-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of an Activated Akt/Protein Kinase B Ternary Complex with Gsk-3 Peptide and AMP-Pnp Nat.Struct.Biol., 9, 2002
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1J1B
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![BU of 1j1b by Molmil](/molmil-images/mine/1j1b) | Binary complex structure of human tau protein kinase I with AMPPNP | Descriptor: | Glycogen synthase kinase-3 beta, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T. | Deposit date: | 2002-12-03 | Release date: | 2003-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta. Acta Crystallogr.,Sect.D, 60, 2004
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2JDO
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![BU of 2jdo by Molmil](/molmil-images/mine/2jdo) | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE | Descriptor: | 1,2-ETHANEDIOL, GLYCOGEN SYNTHASE KINASE-3 BETA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE, ... | Authors: | Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, Mchardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D. | Deposit date: | 2007-01-11 | Release date: | 2007-02-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera J.Mol.Biol., 367, 2007
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7SXJ
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![BU of 7sxj by Molmil](/molmil-images/mine/7sxj) | BIO-2895 (BRD0705) bound GSK3beta-axin complex | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta, axin peptide | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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2X39
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![BU of 2x39 by Molmil](/molmil-images/mine/2x39) | Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB | Descriptor: | 4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | Authors: | Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-01-22 | Release date: | 2010-02-23 | Last modified: | 2011-09-21 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt). J.Med.Chem., 53, 2010
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1Q5K
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![BU of 1q5k by Molmil](/molmil-images/mine/1q5k) | crystal structure of Glycogen synthase kinase 3 in complexed with inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA | Authors: | Bhat, R, Xue, Y, Berg, S, Hellberg, S, Ormo, M, Nilsson, Y, Radesater, A.C, Jerning, E, Markgren, P.O, Borgegard, T, Nylof, M, Gimenez-Cassina, A, Hernandez, F, Lucas, J.J, Diaz-Mido, J, Avila, J. | Deposit date: | 2003-08-08 | Release date: | 2004-08-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural insights and biological effects of glycogen synthase kinase 3-specific inhibitor AR-A014418. J.Biol.Chem., 278, 2003
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4AFJ
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![BU of 4afj by Molmil](/molmil-images/mine/4afj) | 5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors | Descriptor: | 5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | Authors: | Gentile, G, Merlo, G, Pozzan, A, Bernasconi, G, Bax, B, Bamborough, P, Bridges, A, Carter, P, Neu, M, Yao, G, Brough, C, Cutler, G, Coffin, A, Belyanskaya, S. | Deposit date: | 2012-01-19 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | 5-Aryl-4-Carboxamide-1,3-Oxazoles: Potent and Selective Gsk-3 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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3CQW
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![BU of 3cqw by Molmil](/molmil-images/mine/3cqw) | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | Descriptor: | 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, Glycogen synthase kinase-3 beta, MANGANESE (II) ION, ... | Authors: | Pandit, J. | Deposit date: | 2008-04-03 | Release date: | 2008-05-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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6Y9S
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![BU of 6y9s by Molmil](/molmil-images/mine/6y9s) | Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | Descriptor: | ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | Deposit date: | 2020-03-10 | Release date: | 2020-05-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
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4PTE
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![BU of 4pte by Molmil](/molmil-images/mine/4pte) | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | Deposit date: | 2014-03-10 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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7B6F
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![BU of 7b6f by Molmil](/molmil-images/mine/7b6f) | GSK3-beta in complex with compound (S)-5c | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile, Glycogen synthase kinase-3 beta, ... | Authors: | Tesch, R, Andreev, S, Koch, P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-07 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GSK3-beta in complex with compound (S)-5c To be published
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6Y9R
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![BU of 6y9r by Molmil](/molmil-images/mine/6y9r) | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | Descriptor: | ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ... | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | Deposit date: | 2020-03-10 | Release date: | 2020-05-20 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
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7SXH
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![BU of 7sxh by Molmil](/molmil-images/mine/7sxh) | BIO-8546 bound GSK3beta-axin complex | Descriptor: | (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Glycogen synthase kinase-3 beta, axin peptide | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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4NM3
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![BU of 4nm3 by Molmil](/molmil-images/mine/4nm3) | Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-11-14 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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2UW9
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![BU of 2uw9 by Molmil](/molmil-images/mine/2uw9) | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-chloro-phenyl)-4-(4-(1H-pyrazol-4-yl)-phenyl)-piperidine | Descriptor: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery. J.Med.Chem., 50, 2007
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1Q41
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![BU of 1q41 by Molmil](/molmil-images/mine/1q41) | GSK-3 Beta complexed with Indirubin-3'-monoxime | Descriptor: | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | Deposit date: | 2003-08-01 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors J.Mol.Biol., 333, 2003
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1J1C
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![BU of 1j1c by Molmil](/molmil-images/mine/1j1c) | Binary complex structure of human tau protein kinase I with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase kinase-3 beta, MAGNESIUM ION | Authors: | Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T. | Deposit date: | 2002-12-03 | Release date: | 2003-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta. Acta Crystallogr.,Sect.D, 60, 2004
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6TCU
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![BU of 6tcu by Molmil](/molmil-images/mine/6tcu) | Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | Descriptor: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta | Authors: | Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R. | Deposit date: | 2019-11-06 | Release date: | 2020-09-16 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model. Acs Med.Chem.Lett., 11, 2020
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8AV1
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![BU of 8av1 by Molmil](/molmil-images/mine/8av1) | Crystal structure of GSK3 beta (GSK3b) in complex with CD7. | Descriptor: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline, Glycogen synthase kinase-3 beta, ... | Authors: | Chaikuad, A, Mongin, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-08-26 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3 alpha (GSK-3 alpha ): Development and impact on temozolomide treatment of glioblastoma cells. Bioorg.Chem., 134, 2023
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6V6L
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![BU of 6v6l by Molmil](/molmil-images/mine/6v6l) | Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one | Descriptor: | 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION | Authors: | Bussiere, D.E, Fang, E, Shu, W. | Deposit date: | 2019-12-05 | Release date: | 2020-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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3CQU
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![BU of 3cqu by Molmil](/molmil-images/mine/3cqu) | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase | Authors: | Pandit, J. | Deposit date: | 2008-04-03 | Release date: | 2008-05-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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5K5N
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![BU of 5k5n by Molmil](/molmil-images/mine/5k5n) | Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor | Descriptor: | 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide, Glycogen synthase kinase-3 beta, SULFATE ION | Authors: | Kurumbail, R.G, Chang, J.S. | Deposit date: | 2016-05-23 | Release date: | 2016-09-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging. Angew.Chem.Int.Ed.Engl., 55, 2016
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3DU8
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![BU of 3du8 by Molmil](/molmil-images/mine/3du8) | Crystal structure of GSK-3 beta in complex with NMS-869553A | Descriptor: | (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Glycogen synthase kinase-3 beta | Authors: | Bossi, R.T. | Deposit date: | 2008-07-17 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. J.Med.Chem., 52, 2009
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1Q3D
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![BU of 1q3d by Molmil](/molmil-images/mine/1q3d) | GSK-3 Beta complexed with Staurosporine | Descriptor: | GLYCOGEN SYNTHASE KINASE-3 BETA, STAUROSPORINE | Authors: | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | Deposit date: | 2003-07-29 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors J.Mol.Biol., 333, 2003
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