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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2O5K
 | | Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor | | Descriptor: | 2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE, Glycogen synthase kinase-3 beta | | Authors: | Shin, D, Lee, S.C, Heo, Y.S, Cho, Y.S, Kim, Y.E, Hyun, Y.L, Cho, J.M, Lee, Y.S, Ro, S. | | Deposit date: | 2006-12-06 | | Release date: | 2007-10-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3beta
Bioorg.Med.Chem.Lett., 17, 2007
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1S1M
 | | Crystal Structure of E. Coli CTP Synthetase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CTP synthase, IODIDE ION, ... | | Authors: | Endrizzi, J.A, Kim, H, Anderson, P.M, Baldwin, E.P. | | Deposit date: | 2004-01-06 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Escherichia coli Cytidine Triphosphate Synthetase, a Nucleotide-Regulated Glutamine Amidotransferase/ATP-Dependent Amidoligase Fusion Protein and Homologue of Anticancer and Antiparasitic Drug Targets
Biochemistry, 43, 2004
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6HXI
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2C9H
 | | Structure of mitochondrial beta-ketoacyl synthase | | Descriptor: | MITOCHONDRIAL BETA-KETOACYL SYNTHASE, NICKEL (II) ION | | Authors: | Bunkoczi, G, Wu, X, Smee, C, Gileadi, O, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U. | | Deposit date: | 2005-12-12 | | Release date: | 2005-12-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Mitochondrial Beta-Ketoacyl Synthase
To be Published
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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 | | Last modified: | 2024-11-20 | | 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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3ETH
 | | Crystal structure of E. coli Purk in complex with MgATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphoribosylaminoimidazole carboxylase ATPase subunit | | 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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4O90
 | | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution | | Descriptor: | Chorismate synthase, GLYCEROL, L(+)-TARTARIC ACID | | Authors: | Chaudhary, A, Singh, N, Shukla, P.K, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-12-31 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution
To be Published
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4OB9
 | | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution | | Descriptor: | Chorismate synthase | | Authors: | Shukla, P.K, Chaudhary, A, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-01-07 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution
To be Published
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5HLP
 | | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | | Descriptor: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-01-15 | | Release date: | 2016-05-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
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1M0T
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5HLN
 | | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ... | | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-01-15 | | Release date: | 2016-05-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
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1EE1
 | | CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE ATP, TWO MOLECULES DEAMIDO-NAD+ AND ONE MG2+ ION | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) SYNTHETASE, ... | | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, Delucas, L. | | Deposit date: | 2000-01-28 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
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6FKO
 | | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, hadacidin at 2.1 Angstrom resolution | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ... | | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | | Deposit date: | 2018-01-24 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, HAdacidin at 2.1 Angstrom resolution
To Be Published
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4ACC
 | | GSK3b in complex with inhibitor | | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Xue, Y, Ormo, M. | | Deposit date: | 2011-12-14 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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6NOP
 | | Structure of Cyanothece McdA(D38A)-ATP complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cobyrinic acid ac-diamide synthase, MAGNESIUM ION | | Authors: | Schumacher, M.A. | | Deposit date: | 2019-01-16 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of maintenance of carboxysome distribution Walker-box McdA and McdB adaptor homologs.
Nucleic Acids Res., 47, 2019
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7FTL
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid | | Descriptor: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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7FU5
 | | Crystal Structure of human cyclic GMP-AMP synthase | | Descriptor: | (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, SULFATE ION, ... | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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7FU7
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4ACD
 | | GSK3b in complex with inhibitor | | Descriptor: | 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Xue, Y, Ormo, M. | | Deposit date: | 2011-12-15 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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4ACH
 | | GSK3b in complex with inhibitor | | Descriptor: | 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Xue, Y, Ormo, M. | | Deposit date: | 2011-12-15 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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4ACG
 | | GSK3b in complex with inhibitor | | Descriptor: | 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Xue, Y, Ormo, M. | | Deposit date: | 2011-12-15 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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7FTI
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-(4-fluorophenyl)-2-methylpyrazole-3-carboxylic acid | | Descriptor: | 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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7FTJ
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7FTG
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