4ACM
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![BU of 4acm by Molmil](/molmil-images/mine/4acm) | CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL | Authors: | Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y. | Deposit date: | 2011-12-16 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 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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7NDL
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![BU of 7ndl by Molmil](/molmil-images/mine/7ndl) | Crystal structure of human GFAT-1 S205D | Descriptor: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Isoform 2 of Glutamine-fructose-6-phosphate aminotransferase [isomerizing] 1 | Authors: | Ruegenberg, S, Baumann, U, Denzel, M.S. | Deposit date: | 2021-02-02 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.223 Å) | Cite: | Protein kinase A controls the hexosamine pathway by tuning the feedback inhibition of GFAT-1. Nat Commun, 12, 2021
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4ZSI
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![BU of 4zsi by Molmil](/molmil-images/mine/4zsi) | Crystal structure of the effector-binding domain of DasR (DasR-EBD) in complex with glucosamine-6-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, 2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose, ... | Authors: | Fillenberg, S.B, Koerner, S, Muller, Y.A. | Deposit date: | 2015-05-13 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors. Plos One, 11, 2016
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6R4J
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![BU of 6r4j by Molmil](/molmil-images/mine/6r4j) | Crystal structure of human GFAT-1 G451E in complex with UDP-GlcNAc | Descriptor: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1, ... | Authors: | Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. | Deposit date: | 2019-03-22 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
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6R4E
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![BU of 6r4e by Molmil](/molmil-images/mine/6r4e) | Crystal structure of human GFAT-1 in complex with Glucose-6-Phosphate and L-Glu | Descriptor: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 | Authors: | Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. | Deposit date: | 2019-03-22 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.353 Å) | Cite: | Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
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6R4I
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![BU of 6r4i by Molmil](/molmil-images/mine/6r4i) | Crystal structure of human GFAT-1 G461E | Descriptor: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 | Authors: | Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. | Deposit date: | 2019-03-22 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.586 Å) | Cite: | Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
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6R4H
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![BU of 6r4h by Molmil](/molmil-images/mine/6r4h) | Crystal structure of human GFAT-1 G451E | Descriptor: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 | Authors: | Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. | Deposit date: | 2019-03-22 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.244 Å) | Cite: | Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
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4ZSB
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![BU of 4zsb by Molmil](/molmil-images/mine/4zsb) | |
4ZS8
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![BU of 4zs8 by Molmil](/molmil-images/mine/4zs8) | Crystal structure of ligand-free, full length DasR | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional repressor DasR | Authors: | Fillenberg, S.B, Muller, Y.A. | Deposit date: | 2015-05-13 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors. Plos One, 11, 2016
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4ZSK
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![BU of 4zsk by Molmil](/molmil-images/mine/4zsk) | |
6RGI
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![BU of 6rgi by Molmil](/molmil-images/mine/6rgi) | Partially unfolded cytochrome c in complex with sulfonatocalix[6]arene | Descriptor: | Cytochrome c iso-1, HEME C, IMIDAZOLE, ... | Authors: | Engilberge, S, Rennie, M.L, Crowley, P.B. | Deposit date: | 2019-04-16 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Calixarene capture of partially unfolded cytochrome c. Febs Lett., 593, 2019
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6Z5G
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![BU of 6z5g by Molmil](/molmil-images/mine/6z5g) | The RSL - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, solved by S-SAD | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Engilberge, S, Ramberg, K, Crowley, P.B. | Deposit date: | 2020-05-26 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.278 Å) | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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6Z5X
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![BU of 6z5x by Molmil](/molmil-images/mine/6z5x) | The RSL - sulfonato-calix[8]arene complex, P213 form, acetate pH 4.8 | Descriptor: | Fucose-binding lectin protein, SODIUM ION, SULFATE ION, ... | Authors: | Engilberge, S, Ramberg, K, Crowley, P.B. | Deposit date: | 2020-05-27 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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6Z5W
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![BU of 6z5w by Molmil](/molmil-images/mine/6z5w) | The RSL - sulfonato-calix[8]arene complex, P213 form, MES pH 6.8 | Descriptor: | Fucose-binding lectin protein, SULFATE ION, beta-D-fructopyranose, ... | Authors: | Engilberge, S, Ramberg, K, Crowley, P.B. | Deposit date: | 2020-05-27 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.187 Å) | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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7NUU
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![BU of 7nuu by Molmil](/molmil-images/mine/7nuu) | Crystal structure of human AMDHD2 in complex with Zn | Descriptor: | GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ZINC ION | Authors: | Ruegenberg, S, Kroef, V, Baumann, U, Denzel, M.S. | Deposit date: | 2021-03-14 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | GFPT2/GFAT2 and AMDHD2 act in tandem to control the hexosamine pathway. Elife, 11, 2022
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7NUT
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![BU of 7nut by Molmil](/molmil-images/mine/7nut) | Crystal structure of human AMDHD2 in complex with Zn and GlcN6P | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, N-acetylglucosamine-6-phosphate deacetylase, ZINC ION | Authors: | Ruegenberg, S, Kroef, V, Baumann, U, Denzel, M.S. | Deposit date: | 2021-03-14 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | GFPT2/GFAT2 and AMDHD2 act in tandem to control the hexosamine pathway. Elife, 11, 2022
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7PA0
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![BU of 7pa0 by Molmil](/molmil-images/mine/7pa0) | NaK C-DI F92A mutant with Rb+ and K+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-07-28 | Release date: | 2022-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
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6ZK8
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![BU of 6zk8 by Molmil](/molmil-images/mine/6zk8) | Native crystal structure of anaerobic F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution | Descriptor: | Coenzyme F420H2 oxidase (FprA), DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | Authors: | Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S. | Deposit date: | 2020-06-30 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase. Chem.Commun.(Camb.), 56, 2020
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7OQ1
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![BU of 7oq1 by Molmil](/molmil-images/mine/7oq1) | NaK S-ELM mutant with Na+ and K+ | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-06-02 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
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7OQ2
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![BU of 7oq2 by Molmil](/molmil-images/mine/7oq2) | NaK S-DI mutant soaked in Na+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-06-02 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
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7OOR
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![BU of 7oor by Molmil](/molmil-images/mine/7oor) | NaK C-DI mutant with Na+ and K+ | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-05-28 | Release date: | 2022-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
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7OPH
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![BU of 7oph by Molmil](/molmil-images/mine/7oph) | NaK S-DI mutant with Na+ and K+ | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-05-31 | Release date: | 2022-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
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7OOU
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![BU of 7oou by Molmil](/molmil-images/mine/7oou) | NaK C-DI mutant with Li+ and K+ | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-05-28 | Release date: | 2022-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
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6ZMK
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![BU of 6zmk by Molmil](/molmil-images/mine/6zmk) | Crystal structure of human GFAT-1 L405R | Descriptor: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 | Authors: | Ruegenberg, S, Mayr, F, Miethe, S, Atanassov, I, Baumann, U, Denzel, M.S. | Deposit date: | 2020-07-02 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.382 Å) | Cite: | Protein kinase A controls the hexosamine pathway by tuning the feedback inhibition of GFAT-1. Nat Commun, 12, 2021
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6ZMJ
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![BU of 6zmj by Molmil](/molmil-images/mine/6zmj) | Crystal structure of human GFAT-1 R203H | Descriptor: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 | Authors: | Ruegenberg, S, Mayr, F, Miethe, S, Atanassov, I, Baumann, U, Denzel, M.S. | Deposit date: | 2020-07-02 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.774 Å) | Cite: | Protein kinase A controls the hexosamine pathway by tuning the feedback inhibition of GFAT-1. Nat Commun, 12, 2021
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