4B7T
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![BU of 4b7t by Molmil](/molmil-images/mine/4b7t) | Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Leucettine L4 | Descriptor: | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one, AXIN-1, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Oberholzer, A.E, Pearl, L.H. | Deposit date: | 2012-08-22 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.772 Å) | Cite: | Selectivity, Cocrystal Structures, and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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5A1G
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![BU of 5a1g by Molmil](/molmil-images/mine/5a1g) | The structure of Human MAT2A in complex with S-adenosylethionine and PPNP. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (DIPHOSPHONO)AMINOPHOSPHONIC ACID, IMIDAZOLE, ... | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | Deposit date: | 2015-04-30 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes. Proc.Natl.Acad.Sci.USA, 113, 2016
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5A1I
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![BU of 5a1i by Molmil](/molmil-images/mine/5a1i) | The structure of Human MAT2A in complex with SAM, Adenosine, Methionine and PPNP. | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ADENOSINE, ... | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | Deposit date: | 2015-04-30 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes. Proc.Natl.Acad.Sci.USA, 113, 2016
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5A19
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![BU of 5a19 by Molmil](/molmil-images/mine/5a19) | The structure of MAT2A in complex with PPNP. | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | Deposit date: | 2015-04-28 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes. Proc.Natl.Acad.Sci.USA, 113, 2016
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3ETJ
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![BU of 3etj by Molmil](/molmil-images/mine/3etj) | Crystal structure E. coli Purk in complex with Mg, ADP, and Pi | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, HYDROGENPHOSPHATE ION, ... | Authors: | Holden, H.M, Thoden, J.B. | Deposit date: | 2008-10-08 | Release date: | 2008-10-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analysis of the active site geometry of N(5)-Carboxyaminoimidazole ribonucleotide synthetase from Escherichia coli. Biochemistry, 47, 2008
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4NDN
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![BU of 4ndn by Molmil](/molmil-images/mine/4ndn) | Structural insights of MAT enzymes: MATa2b complexed with SAM and PPNP | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | Deposit date: | 2013-10-27 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure and function study of the complex that synthesizes S-adenosylmethionine. IUCrJ, 1, 2014
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6NON
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![BU of 6non by Molmil](/molmil-images/mine/6non) | Structure of Cyanthece apo McdA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cobyrinic acid ac-diamide synthase, MAGNESIUM ION | Authors: | Schumacher, M.A. | Deposit date: | 2019-01-16 | Release date: | 2019-04-24 | Last modified: | 2019-06-26 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structures of maintenance of carboxysome distribution Walker-box McdA and McdB adaptor homologs. Nucleic Acids Res., 47, 2019
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1JBW
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![BU of 1jbw by Molmil](/molmil-images/mine/1jbw) | FPGS-AMPPCP-folate complex | Descriptor: | 5,10-METHYLENE-6-HYDROFOLIC ACID, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, FOLYLPOLYGLUTAMATE SYNTHASE, ... | Authors: | Sun, X, Cross, J.A, Bognar, A.L, Baker, E.N, Smith, C.A. | Deposit date: | 2001-06-06 | Release date: | 2001-09-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Folate-binding triggers the activation of folylpolyglutamate synthetase. J.Mol.Biol., 310, 2001
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8EZB
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![BU of 8ezb by Molmil](/molmil-images/mine/8ezb) | NHEJ Long-range complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... | Authors: | Chen, S, He, Y. | Deposit date: | 2022-10-31 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ. Sci Adv, 9, 2023
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5COX
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![BU of 5cox by Molmil](/molmil-images/mine/5cox) | |
7L7J
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![BU of 7l7j by Molmil](/molmil-images/mine/7l7j) | Cryo-EM structure of Hsp90:p23 closed-state complex | Descriptor: | Heat shock protein HSP 90-alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Prostaglandin E synthase 3 | Authors: | Lee, K, Thwin, A.C, Tse, E, Gates, S.N, Southworth, D.R. | Deposit date: | 2020-12-28 | Release date: | 2021-08-25 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The structure of an Hsp90-immunophilin complex reveals cochaperone recognition of the client maturation state. Mol.Cell, 81, 2021
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7L7I
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![BU of 7l7i by Molmil](/molmil-images/mine/7l7i) | Cryo-EM structure of Hsp90:FKBP51:p23 closed-state complex | Descriptor: | Heat shock protein HSP 90-alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peptidyl-prolyl cis-trans isomerase FKBP5, ... | Authors: | Lee, K, Thwin, A.C, Tse, E, Gates, S.N, Southworth, D.R. | Deposit date: | 2020-12-28 | Release date: | 2021-08-25 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The structure of an Hsp90-immunophilin complex reveals cochaperone recognition of the client maturation state. Mol.Cell, 81, 2021
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6COX
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![BU of 6cox by Molmil](/molmil-images/mine/6cox) | |
3E88
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![BU of 3e88 by Molmil](/molmil-images/mine/3e88) | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | Descriptor: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | Deposit date: | 2008-08-19 | Release date: | 2008-10-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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3E87
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![BU of 3e87 by Molmil](/molmil-images/mine/3e87) | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | Descriptor: | Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | Deposit date: | 2008-08-19 | Release date: | 2008-10-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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3E8D
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![BU of 3e8d by Molmil](/molmil-images/mine/3e8d) | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | Descriptor: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | Deposit date: | 2008-08-19 | Release date: | 2008-10-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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4IG8
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![BU of 4ig8 by Molmil](/molmil-images/mine/4ig8) | |
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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7SXG
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![BU of 7sxg by Molmil](/molmil-images/mine/7sxg) | BIO-8546 bound GSK3alpha-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, Axin peptide, Glycogen synthase kinase-3 alpha | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 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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7SXF
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![BU of 7sxf by Molmil](/molmil-images/mine/7sxf) | BIO-2895 (BRD0705) bound GSK3alpha-axin complex | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Axin peptide, CALCIUM ION, ... | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.94 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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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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4NM0
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![BU of 4nm0 by Molmil](/molmil-images/mine/4nm0) | Crystal structure of peptide inhibitor-free GSK-3/Axin complex | 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 (2.5 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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7LOO
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![BU of 7loo by Molmil](/molmil-images/mine/7loo) | S-adenosyl methionine transferase cocrystallized with ATP | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Jackson, C.J, Tan, L.L, Laurino, P. | Deposit date: | 2021-02-10 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au, 1, 2021
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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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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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