1O93
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![BU of 1o93 by Molmil](/molmil-images/mine/1o93) | Methionine Adenosyltransferase complexed with ATP and a L-methionine analogue | Descriptor: | (2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | Deposit date: | 2002-12-10 | Release date: | 2003-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism J.Mol.Biol., 331, 2003
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5KPK
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![BU of 5kpk by Molmil](/molmil-images/mine/5kpk) | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | Descriptor: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-07-04 | Release date: | 2018-03-14 | Last modified: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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2DM9
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![BU of 2dm9 by Molmil](/molmil-images/mine/2dm9) | |
2DMA
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![BU of 2dma by Molmil](/molmil-images/mine/2dma) | |
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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6HXH
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![BU of 6hxh by Molmil](/molmil-images/mine/6hxh) | Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase,Human ATP citrate lyase, CITRATE ANION, ... | Authors: | Verstraete, K, Verschueren, K. | Deposit date: | 2018-10-17 | Release date: | 2019-04-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle. Nature, 568, 2019
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4XJ4
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![BU of 4xj4 by Molmil](/molmil-images/mine/4xj4) | Crystal structure of Vibrio cholerae DncV 3'-deoxy ATP bound form | Descriptor: | 1,2-ETHANEDIOL, 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-GMP synthase, ... | Authors: | Kato, K, Ishii, R, Ishitani, R, Nureki, O. | Deposit date: | 2015-01-08 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.596 Å) | Cite: | Structural Basis for the Catalytic Mechanism of DncV, Bacterial Homolog of Cyclic GMP-AMP Synthase Structure, 23, 2015
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1J21
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8DJE
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![BU of 8dje by Molmil](/molmil-images/mine/8dje) | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE | Descriptor: | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Muckelbauer, J.K. | Deposit date: | 2022-06-30 | Release date: | 2023-03-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.374 Å) | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors. J.Med.Chem., 66, 2023
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8DJC
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![BU of 8djc by Molmil](/molmil-images/mine/8djc) | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | Descriptor: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Muckelbauer, J.K. | Deposit date: | 2022-06-30 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.463 Å) | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors. J.Med.Chem., 66, 2023
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8FV9
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![BU of 8fv9 by Molmil](/molmil-images/mine/8fv9) | E coli. CTP synthase in complex with F-dCTP | Descriptor: | 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | Deposit date: | 2023-01-18 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate. Protein Sci., 32, 2023
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8FVB
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![BU of 8fvb by Molmil](/molmil-images/mine/8fvb) | E coli. CTP synthase in complex with CTP | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MALONIC ACID | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | Deposit date: | 2023-01-18 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate. Protein Sci., 32, 2023
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8FV6
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![BU of 8fv6 by Molmil](/molmil-images/mine/8fv6) | E coli. CTP synthase in complex with dF-dCTP | Descriptor: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID, ... | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | Deposit date: | 2023-01-18 | Release date: | 2023-05-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate. Protein Sci., 32, 2023
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8FVE
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![BU of 8fve by Molmil](/molmil-images/mine/8fve) | E coli. CTP synthase in complex with CTP (potassium malonate + 100 mM MgCl2) | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | Deposit date: | 2023-01-18 | Release date: | 2023-05-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate. Protein Sci., 32, 2023
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8FV8
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![BU of 8fv8 by Molmil](/molmil-images/mine/8fv8) | E coli. CTP synthase in complex with dF-dCTP + ADP | Descriptor: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), ADENOSINE-5'-DIPHOSPHATE, CTP synthase, ... | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | Deposit date: | 2023-01-18 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate. Protein Sci., 32, 2023
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2CNQ
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![BU of 2cnq by Molmil](/molmil-images/mine/2cnq) | Atomic resolution structure of SAICAR-synthase from Saccharomyces cerevisiae complexed with ADP, AICAR, succinate | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, ... | Authors: | Urusova, D.V, Antonyuk, S.V, Grebenko, A.I, Levdikov, V.M, Barynin, V.V, Popov, A.N, Lamzin, V.S, Melik-Adamyan, W.R. | Deposit date: | 2006-05-23 | Release date: | 2006-06-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Saicar Synthase: Substrate Recognition, Conformational Flexibility and Catalysis. To be Published
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8SBR
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1O9U
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![BU of 1o9u by Molmil](/molmil-images/mine/1o9u) | |
6HXJ
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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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1H8F
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![BU of 1h8f by Molmil](/molmil-images/mine/1h8f) | Glycogen Synthase Kinase 3 beta. | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Dajani, R, Pearl, L.H, Roe, S.M. | Deposit date: | 2001-02-05 | Release date: | 2002-01-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Glycogen Synthase Kinase 3Beta . Structural Basis for Phosphate-Primed Substrate Specificity and Autoinhibition Cell(Cambridge,Mass.), 105, 2001
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6HXL
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![BU of 6hxl by Molmil](/molmil-images/mine/6hxl) | |
6HXK
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3M1S
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![BU of 3m1s by Molmil](/molmil-images/mine/3m1s) | Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3 | Descriptor: | Glycogen synthase kinase-3 beta, Ruthenium pyridocarbazole | Authors: | Atilla-Gokcumen, G.E, Di Costanzo, L, Zimmermann, G, Meggers, E. | Deposit date: | 2010-03-05 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.134 Å) | Cite: | Structure of anticancer ruthenium half-sandwich complex bound to glycogen synthase kinase 3beta J.Biol.Inorg.Chem., 16, 2011
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6VCW
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![BU of 6vcw by Molmil](/molmil-images/mine/6vcw) | Crystal structure of Medicago truncatula S-adenosylmethionine Synthase 3A (MtMAT3A) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Sekula, B, Ruszkowski, M, Dauter, Z. | Deposit date: | 2019-12-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | S-adenosylmethionine synthases in plants: Structural characterization of type I and II isoenzymes from Arabidopsis thaliana and Medicago truncatula. Int.J.Biol.Macromol., 151, 2020
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