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9ICD	CATALYTIC MECHANISM OF NADP+-DEPENDENT ISOCITRATE DEHYDROGENASE: IMPLICATIONS FROM THE STRUCTURES OF MAGNESIUM-ISOCITRATE AND NADP+ COMPLEXES 分子名称: ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hurley, J.H, Dean, A.M, Koshland Jr, D.E, Stroud, R.M. 登録日 1991-07-29 公開日 1991-10-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Catalytic mechanism of NADP(+)-dependent isocitrate dehydrogenase: implications from the structures of magnesium-isocitrate and NADP+ complexes. Biochemistry, 30, 1991
6XXY	Crystal structure of Haemophilus influenzae 3-isopropylmalate dehydrogenase in complex with O-isobutenyl oxalylhydroxamate. 分子名称: 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid, 3-isopropylmalate dehydrogenase, MAGNESIUM ION, ... 著者 Miggiano, R, Rossi, F, Martignon, S, Rizzi, M. 登録日 2020-01-28 公開日 2020-02-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Crystal structure of Haemophilus influenzae 3-isopropylmalate dehydrogenase (LeuB) in complex with the inhibitor O-isobutenyl oxalylhydroxamate. Biochem.Biophys.Res.Commun., 524, 2020
8BAY	Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate 分子名称: (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... 著者 Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. 登録日 2022-10-12 公開日 2022-11-02 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2. J.Biol.Chem., 299, 2023
7ICD	REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE 分子名称: ISOCITRATE DEHYDROGENASE 著者 Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. 登録日 1990-05-30 公開日 1991-10-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Regulation of an enzyme by phosphorylation at the active site. Science, 249, 1990
2IV0	Thermal stability of isocitrate dehydrogenase from Archaeoglobus fulgidus studied by crystal structure analysis and engineering of chimers 分子名称: CHLORIDE ION, ISOCITRATE DEHYDROGENASE, ZINC ION 著者 Stokke, R, Karlstrom, M, Yang, N, Leiros, I, Ladenstein, R, Birkeland, N.K, Steen, I.H. 登録日 2006-06-08 公開日 2007-04-17 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Thermal Stability of Isocitrate Dehydrogenase from Archaeoglobus Fulgidus Studied by Crystal Structure Analysis and Engineering of Chimers Extremophiles, 11, 2007
6U4J	Crystal structure of IDH1 R132H mutant in complex with FT-2102 分子名称: 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile, CHLORIDE ION, CITRATE ANION, ... 著者 Toms, A.V, Lin, J. 登録日 2019-08-25 公開日 2020-03-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J.Med.Chem., 63, 2020
3R8W	Structure of 3-isopropylmalate dehydrogenase isoform 2 from Arabidopsis thaliana at 2.2 angstrom resolution 分子名称: 3-isopropylmalate dehydrogenase 2, chloroplastic, ACETATE ION 著者 He, Y, Galant, A, Pang, Q, Strul, J.M, Balogun, S, Jez, J.M, Chen, S. 登録日 2011-03-24 公開日 2011-06-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural and functional evolution of isopropylmalate dehydrogenases in the leucine and glucosinolate pathways of Arabidopsis thaliana. J.Biol.Chem., 286, 2011
8HB9	Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053 分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... 著者 Guo, G, Wang, B, Liu, J, Liu, Q. 登録日 2022-10-27 公開日 2023-05-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor. Eur.J.Med.Chem., 256, 2023
8ICD	REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE 分子名称: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION 著者 Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. 登録日 1990-05-30 公開日 1991-10-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Regulation of an enzyme by phosphorylation at the active site. Science, 249, 1990
4WUO	Structure of the E270A Mutant Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH 分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, ETHANOL, ... 著者 Pallo, A, Graczer, E, Olah, J, Szimler, T, Konarev, P.V, Svergun, D.I, Merli, A, Zavodszky, P, Vas, M, Weiss, M.S. 登録日 2014-11-03 公開日 2014-11-12 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Glutamate 270 plays an essential role in K(+)-activation and domain closure of Thermus thermophilus isopropylmalate dehydrogenase. Febs Lett., 589, 2015
5TQH	IDH1 R132H mutant in complex with IDH889 分子名称: (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, ... 著者 Xie, X, Kulathila, R. 登録日 2016-10-24 公開日 2017-01-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1. ACS Med Chem Lett, 8, 2017
7PJN	Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B 分子名称: (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, ... 著者 Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. 登録日 2021-08-24 公開日 2022-07-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
7PJM	Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate 分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... 著者 Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. 登録日 2021-08-24 公開日 2022-07-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
4Y1P	Crystal structure of 3-isopropylmalate dehydrogenase (Saci_0600) from Sulfolobus acidocaldarius complex with 3-isopropylmalate and Mg2+ 分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, MAGNESIUM ION, ... 著者 Takahashi, K, Tomita, T, Kuzuyama, T, Nishiyama, M. 登録日 2015-02-08 公開日 2016-03-09 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Characterization of two beta-decarboxylating dehydrogenases from Sulfolobus acidocaldarius Extremophiles, 20, 2016
4UMX	IDH1 R132H in complex with cpd 1 分子名称: 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... 著者 Mathieu, M, Marquette, J.P. 登録日 2014-05-22 公開日 2014-11-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 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
4UMY	IDH1 R132H in complex with cpd 1 分子名称: GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 McLean, L, Zhang, Y, Mathieu, M. 登録日 2014-05-22 公開日 2014-11-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 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
5YFM	Human isocitrate dehydrogenase 1 bound with NADP 分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Nordlund, P, Chen, D, Jansson, A, Larsson, A. 登録日 2017-09-21 公開日 2017-10-25 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Human isocitrate dehydrogenase 1 bound with NADP To Be Published
5L58	Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2) 分子名称: 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Levy, C. 登録日 2016-05-28 公開日 2016-12-14 最終更新日 2019-10-09 実験手法 X-RAY DIFFRACTION (3.04 Å) 主引用文献 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
5LGE	Crystal Structure of human IDH1 mutant (R132H) in complex with NADP+ and an Inhibitor related to BAY 1436032 分子名称: 1,2-ETHANEDIOL, 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid, ACETATE ION, ... 著者 Hillig, R.C, Hars, U, Korndoerfer, I.P. 登録日 2016-07-07 公開日 2017-02-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo. Acta Neuropathol., 133, 2017
6VG0	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056 分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine 著者 Padyana, A, Jin, L. 登録日 2020-01-07 公開日 2020-02-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
5M2E	Apo structure of Pseudomonas aeruginosa Isocitrate Dehydrogenase, ICD. 分子名称: Isocitrate dehydrogenase [NADP] 著者 Crousilles, A, Welch, M. 登録日 2016-10-12 公開日 2017-12-20 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Gluconeogenic precursor availability regulates flux through the glyoxylate shunt inPseudomonas aeruginosa. J. Biol. Chem., 293, 2018
6VEI	Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor 分子名称: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... 著者 Padyana, A, Jin, L. 登録日 2020-01-02 公開日 2020-02-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
6VFZ	Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor. 分子名称: 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... 著者 Padyana, A, Jin, L. 登録日 2020-01-07 公開日 2020-02-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
7CE3	Crystal structure of human IDH3 holoenzyme in APO form. 分子名称: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit beta, ... 著者 Sun, P.K, Ding, J.P. 登録日 2020-06-21 公開日 2021-01-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.472 Å) 主引用文献 Structure and allosteric regulation of human NAD-dependent isocitrate dehydrogenase. Cell Discov, 6, 2020
7E2W	Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with isocitrate and magnesium(II) 分子名称: CITRATE ANION, GLYCEROL, ISOCITRIC ACID, ... 著者 Zhu, G.P, Tang, W.G, Wang, P. 登録日 2021-02-07 公開日 2021-05-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs. Arch.Biochem.Biophys., 708, 2021

 

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