2G4O
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![BU of 2g4o by Molmil](/molmil-images/mine/2g4o) | anomalous substructure of 3-ISOPROPYLMALATE DEHYDROGENASE | 分子名称: | 3-isopropylmalate dehydrogenase, CHLORIDE ION, SULFATE ION | 著者 | Mueller-Dieckmann, C, Weiss, M.S. | 登録日 | 2006-02-22 | 公開日 | 2007-02-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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6XXY
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![BU of 6xxy by Molmil](/molmil-images/mine/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
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2IV0
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![BU of 2iv0 by Molmil](/molmil-images/mine/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
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3MAP
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![BU of 3map by Molmil](/molmil-images/mine/3map) | |
8BAY
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![BU of 8bay by Molmil](/molmil-images/mine/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
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6U4J
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![BU of 6u4j by Molmil](/molmil-images/mine/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
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7CE3
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![BU of 7ce3 by Molmil](/molmil-images/mine/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
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5DE1
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![BU of 5de1 by Molmil](/molmil-images/mine/5de1) | Crystal structure of human IDH1 in complex with GSK321A | 分子名称: | (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 | 著者 | Concha, N.O, Smallwood, A, Qi, H. | 登録日 | 2015-08-25 | 公開日 | 2015-10-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nat.Chem.Biol., 11, 2015
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5SUN
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![BU of 5sun by Molmil](/molmil-images/mine/5sun) | IDH1 R132H in complex with IDH146 | 分子名称: | 1,2-ETHANEDIOL, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | 著者 | Xie, X, Kulathila, R. | 登録日 | 2016-08-03 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.477 Å) | 主引用文献 | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
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4UMX
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![BU of 4umx by Molmil](/molmil-images/mine/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
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3MAR
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![BU of 3mar by Molmil](/molmil-images/mine/3mar) | |
4UMY
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![BU of 4umy by Molmil](/molmil-images/mine/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
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5LGE
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![BU of 5lge by Molmil](/molmil-images/mine/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
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4L03
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![BU of 4l03 by Molmil](/molmil-images/mine/4l03) | |
7PJM
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![BU of 7pjm by Molmil](/molmil-images/mine/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
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5M2E
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![BU of 5m2e by Molmil](/molmil-images/mine/5m2e) | |
7PJN
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![BU of 7pjn by Molmil](/molmil-images/mine/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
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6PAY
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![BU of 6pay by Molmil](/molmil-images/mine/6pay) | Structure of HsICDH1:Mg(II):ICT:NADPH(50%) complex reveals structural basis for observation of half-sites reactivity | 分子名称: | FORMIC ACID, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | 著者 | Silvaggi, N.R, Melkonian, T.R, Roman, J.V, Moran, G.R. | 登録日 | 2019-06-12 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | 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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3MAS
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![BU of 3mas by Molmil](/molmil-images/mine/3mas) | |
6Q6F
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![BU of 6q6f by Molmil](/molmil-images/mine/6q6f) | Crystal structure of IDH1 R132H in complex with HMS101 | 分子名称: | (2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine, Isocitrate dehydrogenase [NADP] cytoplasmic | 著者 | 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. | 登録日 | 2018-12-10 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | In vivo efficacy of mutant IDH1 inhibitor HMS-101 and structural resolution of distinct binding site. Leukemia, 34, 2020
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4BNP
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![BU of 4bnp by Molmil](/molmil-images/mine/4bnp) | 3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with isocitrate and magnesium(II) | 分子名称: | ISOCITRATE DEHYDROGENASE [NADP], ISOCITRIC ACID, MAGNESIUM ION, ... | 著者 | Miller, S.P, Goncalves, S, Matias, P.M, Dean, A.M. | 登録日 | 2013-05-16 | 公開日 | 2014-05-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Evolution of a Transition State: Role of Lys100 in the Active Site of Isocitrate Dehydrogenase. Chembiochem, 15, 2014
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4F7I
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![BU of 4f7i by Molmil](/molmil-images/mine/4f7i) | Structure of Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH | 分子名称: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | 著者 | Pallo, A, Graczer, E, Zavodszky, P, Weiss, M.S, Vas, M. | 登録日 | 2012-05-16 | 公開日 | 2012-06-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and energetic basis of isopropylmalate dehydrogenase enzyme catalysis. Febs J., 281, 2014
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3INM
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![BU of 3inm by Molmil](/molmil-images/mine/3inm) | Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+) | 分子名称: | 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ... | 著者 | Fontano, E, Brown, R.S, Suto, R.K, Bhyravbhatla, B. | 登録日 | 2009-08-12 | 公開日 | 2009-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Cancer-associated IDH1 mutations produce 2-hydroxyglutarate. Nature, 462, 2009
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6VG0
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![BU of 6vg0 by Molmil](/molmil-images/mine/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
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6L59
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![BU of 6l59 by Molmil](/molmil-images/mine/6l59) | Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with CIT, Mg and ATP binding at allosteric site and Mg, ATP binding at active site. | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, Isocitrate dehydrogenase [NAD] subunit alpha, ... | 著者 | Sun, P, Ding, J. | 登録日 | 2019-10-22 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.254 Å) | 主引用文献 | Molecular mechanism of the dual regulatory roles of ATP on the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase. Sci Rep, 10, 2020
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