4BNP
 
 | | 3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with isocitrate and magnesium(II) | | Descriptor: | ISOCITRATE DEHYDROGENASE [NADP], ISOCITRIC ACID, MAGNESIUM ION, ... | | Authors: | Miller, S.P, Goncalves, S, Matias, P.M, Dean, A.M. | | Deposit date: | 2013-05-16 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolution of a Transition State: Role of Lys100 in the Active Site of Isocitrate Dehydrogenase.
Chembiochem, 15, 2014
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4P69
 | | Acek (D477A) ICDH complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase [NADP], ... | | Authors: | Jimin, Z, Nan, W, Shu, W, Zongchao, J. | | Deposit date: | 2014-03-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The phosphatase mechanism of bifunctional kinase/phosphatase AceK.
Chem. Commun. (Camb.), 50, 2014
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4WUO
 | | Structure of the E270A Mutant Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, ETHANOL, ... | | Authors: | Pallo, A, Graczer, E, Olah, J, Szimler, T, Konarev, P.V, Svergun, D.I, Merli, A, Zavodszky, P, Vas, M, Weiss, M.S. | | Deposit date: | 2014-11-03 | | Release date: | 2014-11-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Glutamate 270 plays an essential role in K(+)-activation and domain closure of Thermus thermophilus isopropylmalate dehydrogenase.
Febs Lett., 589, 2015
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4UMX
 | | IDH1 R132H in complex with cpd 1 | | Descriptor: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | | Authors: | Mathieu, M, Marquette, J.P. | | Deposit date: | 2014-05-22 | | Release date: | 2014-11-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
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4UMY
 | | IDH1 R132H in complex with cpd 1 | | Descriptor: | GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | McLean, L, Zhang, Y, Mathieu, M. | | Deposit date: | 2014-05-22 | | Release date: | 2014-11-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
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4XXV
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5DE1
 | | Crystal structure of human IDH1 in complex with GSK321A | | Descriptor: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Concha, N.O, Smallwood, A, Qi, H. | | Deposit date: | 2015-08-25 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Nat.Chem.Biol., 11, 2015
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3WZW
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3WZV
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3WZX
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3WZY
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4XRX
 | | Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | | Descriptor: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2015-12-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
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4Y1P
 | | Crystal structure of 3-isopropylmalate dehydrogenase (Saci_0600) from Sulfolobus acidocaldarius complex with 3-isopropylmalate and Mg2+ | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, MAGNESIUM ION, ... | | Authors: | Takahashi, K, Tomita, T, Kuzuyama, T, Nishiyama, M. | | Deposit date: | 2015-02-08 | | Release date: | 2016-03-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterization of two beta-decarboxylating dehydrogenases from Sulfolobus acidocaldarius
Extremophiles, 20, 2016
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4YB4
 | | Crystal structure of homoisocitrate dehydrogenase from Thermus thermophilus in complex with homoisocitrate, magnesium ion (II) and NADH | | Descriptor: | (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Takahashi, K, Tomita, T, Kuzuyama, T, Nishiyama, M. | | Deposit date: | 2015-02-18 | | Release date: | 2016-03-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of homoisocitrate dehydrogenase from Thermus thermophilus in complex with homoisocitrate, magnesium(II) and NADH
To Be Published
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5J32
 | | Isopropylmalate dehydrogenase in complex with isopropylmalate | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase 2, chloroplastic, ... | | Authors: | Jez, J.M, Lee, S.G. | | Deposit date: | 2016-03-30 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.933 Å) | | Cite: | Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
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5J34
 | | Isopropylmalate dehydrogenase K232M mutant | | Descriptor: | 3-isopropylmalate dehydrogenase 2, chloroplastic, MAGNESIUM ION, ... | | Authors: | Lee, S.G, Jez, J.M. | | Deposit date: | 2016-03-30 | | Release date: | 2016-05-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.827 Å) | | Cite: | Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
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5J33
 | | Isopropylmalate dehydrogenase in complex with NAD+ | | Descriptor: | 3-isopropylmalate dehydrogenase 2, chloroplastic, MAGNESIUM ION, ... | | Authors: | Jez, J.M, Lee, S.G. | | Deposit date: | 2016-03-30 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.492 Å) | | Cite: | Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
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5K11
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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5K10
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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4XS3
 | | Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | | Descriptor: | (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2016-07-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.291 Å) | | Cite: | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
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5HN4
 | | Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis complexed with Mn and homoisocitrate | | Descriptor: | (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid, Homoisocitrate dehydrogenase, IMIDAZOLE, ... | | Authors: | Shimizu, T, Tomita, T, Nishiyama, M. | | Deposit date: | 2016-01-18 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure and function of an ancestral-type beta-decarboxylating dehydrogenase from Thermococcus kodakarensis
Biochem. J., 474, 2017
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5HN6
 | | Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis complexed with Mn and 3-isopropylmalate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-ISOPROPYLMALIC ACID, Homoisocitrate dehydrogenase, ... | | Authors: | Shimizu, T, Tomita, T, Nishiyama, M. | | Deposit date: | 2016-01-18 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and function of an ancestral-type beta-decarboxylating dehydrogenase from Thermococcus kodakarensis
Biochem. J., 474, 2017
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5HN5
 | | Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis complexed with Mn and isocitrate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Homoisocitrate dehydrogenase, ISOCITRIC ACID, ... | | Authors: | Shimizu, T, Tomita, T, Nishiyama, M. | | Deposit date: | 2016-01-18 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure and function of an ancestral-type beta-decarboxylating dehydrogenase from Thermococcus kodakarensis
Biochem. J., 474, 2017
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5HN3
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5L57
 | | Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a) | | Descriptor: | (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Levy, C. | | Deposit date: | 2016-05-28 | | Release date: | 2016-12-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
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