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1Q41
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BU of 1q41 by Molmil
GSK-3 Beta complexed with Indirubin-3'-monoxime
分子名称: (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M.
登録日2003-08-01
公開日2003-10-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors
J.Mol.Biol., 333, 2003
2O5K
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BU of 2o5k by Molmil
Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor
分子名称: 2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE, Glycogen synthase kinase-3 beta
著者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.
登録日2006-12-06
公開日2007-10-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3beta
Bioorg.Med.Chem.Lett., 17, 2007
1S1M
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BU of 1s1m by Molmil
Crystal Structure of E. Coli CTP Synthetase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CTP synthase, IODIDE ION, ...
著者Endrizzi, J.A, Kim, H, Anderson, P.M, Baldwin, E.P.
登録日2004-01-06
公開日2004-06-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
6HXI
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BU of 6hxi by Molmil
Structure of ATP citrate lyase from Methanothrix soehngenii in complex with citrate and coenzyme A
分子名称: ACETATE ION, CITRATE ANION, COENZYME A, ...
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
2C9H
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BU of 2c9h by Molmil
Structure of mitochondrial beta-ketoacyl synthase
分子名称: MITOCHONDRIAL BETA-KETOACYL SYNTHASE, NICKEL (II) ION
著者Bunkoczi, G, Wu, X, Smee, C, Gileadi, O, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U.
登録日2005-12-12
公開日2005-12-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Mitochondrial Beta-Ketoacyl Synthase
To be Published
5K5N
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BU of 5k5n by Molmil
Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor
分子名称: 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
著者Kurumbail, R.G, Chang, J.S.
登録日2016-05-23
公開日2016-09-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3ETH
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BU of 3eth by Molmil
Crystal structure of E. coli Purk in complex with MgATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphoribosylaminoimidazole carboxylase ATPase subunit
著者Holden, H.M, Thoden, J.B.
登録日2008-10-08
公開日2008-10-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analysis of the active site geometry of N(5)-Carboxyaminoimidazole ribonucleotide synthetase from Escherichia coli.
Biochemistry, 47, 2008
4O90
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Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution
分子名称: Chorismate synthase, GLYCEROL, L(+)-TARTARIC ACID
著者Chaudhary, A, Singh, N, Shukla, P.K, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-12-31
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution
To be Published
4OB9
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BU of 4ob9 by Molmil
Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution
分子名称: Chorismate synthase
著者Shukla, P.K, Chaudhary, A, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2014-01-07
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution
To be Published
5HLP
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BU of 5hlp by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937
分子名称: 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
著者White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
登録日2016-01-15
公開日2016-05-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
1M0T
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BU of 1m0t by Molmil
Yeast Glutathione Synthase
分子名称: SULFATE ION, glutathione synthetase
著者Gogos, A, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2002-06-14
公開日2002-12-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Large Conformational Changes in the Catalytic Cycle of Glutathione Synthase
Structure, 10, 2002
5HLN
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BU of 5hln by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ...
著者White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
登録日2016-01-15
公開日2016-05-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
1EE1
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BU of 1ee1 by Molmil
CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE ATP, TWO MOLECULES DEAMIDO-NAD+ AND ONE MG2+ ION
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) SYNTHETASE, ...
著者Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, Delucas, L.
登録日2000-01-28
公開日2001-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
6FKO
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BU of 6fko by Molmil
Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, hadacidin at 2.1 Angstrom resolution
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ...
著者Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
登録日2018-01-24
公開日2019-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, HAdacidin at 2.1 Angstrom resolution
To Be Published
4ACC
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BU of 4acc by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-14
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献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
6NOP
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BU of 6nop by Molmil
Structure of Cyanothece McdA(D38A)-ATP complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cobyrinic acid ac-diamide synthase, MAGNESIUM ION
著者Schumacher, M.A.
登録日2019-01-16
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of maintenance of carboxysome distribution Walker-box McdA and McdB adaptor homologs.
Nucleic Acids Res., 47, 2019
7FTL
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BU of 7ftl by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
分子名称: (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FU5
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BU of 7fu5 by Molmil
Crystal Structure of human cyclic GMP-AMP synthase
分子名称: (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, ...
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FU7
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BU of 7fu7 by Molmil
Crystal Structure of human cyclic GMP-AMP synthase
分子名称: (6M)-2-(benzylamino)-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
4ACD
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BU of 4acd by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
4ACH
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BU of 4ach by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
4ACG
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BU of 4acg by Molmil
GSK3b in complex with inhibitor
分子名称: 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
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
7FTI
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BU of 7fti by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-(4-fluorophenyl)-2-methylpyrazole-3-carboxylic acid
分子名称: 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTJ
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BU of 7ftj by Molmil
Crystal Structure of apo human cyclic GMP-AMP synthase
分子名称: Cyclic GMP-AMP synthase, POTASSIUM ION, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTG
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Crystal Structure of human cyclic GMP-AMP synthase in complex with cGAMP
分子名称: Cyclic GMP-AMP synthase, ZINC ION, cGAMP
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published

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件を2025-07-09に公開中

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