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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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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1LWD
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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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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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9ICD
 | | CATALYTIC MECHANISM OF NADP+-DEPENDENT ISOCITRATE DEHYDROGENASE: IMPLICATIONS FROM THE STRUCTURES OF MAGNESIUM-ISOCITRATE AND NADP+ COMPLEXES | | Descriptor: | ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hurley, J.H, Dean, A.M, Koshland Jr, D.E, Stroud, R.M. | | Deposit date: | 1991-07-29 | | Release date: | 1991-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Catalytic mechanism of NADP(+)-dependent isocitrate dehydrogenase: implications from the structures of magnesium-isocitrate and NADP+ complexes.
Biochemistry, 30, 1991
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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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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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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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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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3FMX
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3FLK
 | | Crystal Structure of Tartrate Dehydrogenase from Pseudomonas putida in complex with NADH, oxalate and metal ion | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, AMMONIUM ION, ... | | Authors: | Malik, R, Viola, R.E. | | Deposit date: | 2008-12-18 | | Release date: | 2009-12-22 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural characterization of tartrate dehydrogenase: a versatile enzyme catalyzing multiple reactions.
Acta Crystallogr.,Sect.D, 66, 2010
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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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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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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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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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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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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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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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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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