5M2E
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5TQH
| IDH1 R132H mutant in complex with IDH889 | Descriptor: | (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2016-10-24 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1. ACS Med Chem Lett, 8, 2017
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6ICD
| REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | Descriptor: | ISOCITRATE DEHYDROGENASE | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1990-05-30 | Release date: | 1991-10-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Regulation of an enzyme by phosphorylation at the active site. Science, 249, 1990
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8KIB
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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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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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8BAY
| Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | Descriptor: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | Authors: | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | Deposit date: | 2022-10-12 | Release date: | 2022-11-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2. J.Biol.Chem., 299, 2023
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7ICD
| REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | Descriptor: | ISOCITRATE DEHYDROGENASE | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1990-05-30 | Release date: | 1991-10-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulation of an enzyme by phosphorylation at the active site. Science, 249, 1990
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6XXY
| Crystal structure of Haemophilus influenzae 3-isopropylmalate dehydrogenase in complex with O-isobutenyl oxalylhydroxamate. | Descriptor: | 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid, 3-isopropylmalate dehydrogenase, MAGNESIUM ION, ... | Authors: | Miggiano, R, Rossi, F, Martignon, S, Rizzi, M. | Deposit date: | 2020-01-28 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of Haemophilus influenzae 3-isopropylmalate dehydrogenase (LeuB) in complex with the inhibitor O-isobutenyl oxalylhydroxamate. Biochem.Biophys.Res.Commun., 524, 2020
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3R8W
| Structure of 3-isopropylmalate dehydrogenase isoform 2 from Arabidopsis thaliana at 2.2 angstrom resolution | Descriptor: | 3-isopropylmalate dehydrogenase 2, chloroplastic, ACETATE ION | Authors: | He, Y, Galant, A, Pang, Q, Strul, J.M, Balogun, S, Jez, J.M, Chen, S. | Deposit date: | 2011-03-24 | Release date: | 2011-06-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and functional evolution of isopropylmalate dehydrogenases in the leucine and glucosinolate pathways of Arabidopsis thaliana. J.Biol.Chem., 286, 2011
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6PAY
| Structure of HsICDH1:Mg(II):ICT:NADPH(50%) complex reveals structural basis for observation of half-sites reactivity | Descriptor: | FORMIC ACID, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Silvaggi, N.R, Melkonian, T.R, Roman, J.V, Moran, G.R. | Deposit date: | 2019-06-12 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Transient-State Analysis of Human Isocitrate Dehydrogenase I: Accounting for the Interconversion of Active and Non-Active Conformational States. Biochemistry, 58, 2019
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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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7PJM
| Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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7PJN
| Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B | Descriptor: | (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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6Q6F
| Crystal structure of IDH1 R132H in complex with HMS101 | Descriptor: | (2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine, Isocitrate dehydrogenase [NADP] cytoplasmic | Authors: | Chaturvedi, A, Goparaju, R, Gupta, C, Kluenemann, T, Araujo Cruz, M.M, Kloos, A, Goerlich, K, Schottmann, R, Struys, E.A, Ganser, A, Preller, M, Heuser, M. | Deposit date: | 2018-12-10 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | In vivo efficacy of mutant IDH1 inhibitor HMS-101 and structural resolution of distinct binding site. Leukemia, 34, 2020
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8HB9
| Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Guo, G, Wang, B, Liu, J, Liu, Q. | Deposit date: | 2022-10-27 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor. Eur.J.Med.Chem., 256, 2023
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6O2Z
| Crystal structure of IDH1 R132H mutant in complex with compound 32 | Descriptor: | 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Toms, A.V, Lin, J. | Deposit date: | 2019-02-25 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J.Med.Chem., 62, 2019
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3INM
| Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+) | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Fontano, E, Brown, R.S, Suto, R.K, Bhyravbhatla, B. | Deposit date: | 2009-08-12 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cancer-associated IDH1 mutations produce 2-hydroxyglutarate. Nature, 462, 2009
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6O2Y
| Crystal structure of IDH1 R132H mutant in complex with compound 24 | Descriptor: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Toms, A.V, Lin, J. | Deposit date: | 2019-02-25 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J.Med.Chem., 62, 2019
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8ICD
| REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1990-05-30 | Release date: | 1991-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of an enzyme by phosphorylation at the active site. Science, 249, 1990
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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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2G4O
| anomalous substructure of 3-ISOPROPYLMALATE DEHYDROGENASE | Descriptor: | 3-isopropylmalate dehydrogenase, CHLORIDE ION, SULFATE ION | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | Deposit date: | 2006-02-22 | Release date: | 2007-02-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths. Acta Crystallogr.,Sect.D, 63, 2007
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2IV0
| Thermal stability of isocitrate dehydrogenase from Archaeoglobus fulgidus studied by crystal structure analysis and engineering of chimers | Descriptor: | CHLORIDE ION, ISOCITRATE DEHYDROGENASE, ZINC ION | Authors: | Stokke, R, Karlstrom, M, Yang, N, Leiros, I, Ladenstein, R, Birkeland, N.K, Steen, I.H. | Deposit date: | 2006-06-08 | Release date: | 2007-04-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Thermal Stability of Isocitrate Dehydrogenase from Archaeoglobus Fulgidus Studied by Crystal Structure Analysis and Engineering of Chimers Extremophiles, 11, 2007
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3ICD
| STRUCTURE OF A BACTERIAL ENZYME REGULATED BY PHOSPHORYLATION, ISOCITRATE DEHYDROGENASE | Descriptor: | ISOCITRATE DEHYDROGENASE | Authors: | Hurley, J.H, Thorsness, P.E, Ramalingam, V, Helmers, N.H, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1989-12-28 | Release date: | 1991-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a bacterial enzyme regulated by phosphorylation, isocitrate dehydrogenase. Proc.Natl.Acad.Sci.USA, 86, 1989
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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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