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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5SVF
 | | IDH1 R132H in complex with IDH125 | | 分子名称: | (4S)-3-(2-{[(1S)-1-phenylethyl]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 | 2016-08-05 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.34 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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3FMX
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5SVO
 | | Structure of IDH2 mutant R140Q | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ... | | 著者 | Xie, X, Kulathila, R. | | 登録日 | 2016-08-06 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.87 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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5SVN
 | | Structure of IDH2 mutant R172K | | 分子名称: | DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ... | | 著者 | Xie, X, Kulathila, R. | | 登録日 | 2016-08-06 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 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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3FLK
 | | Crystal Structure of Tartrate Dehydrogenase from Pseudomonas putida in complex with NADH, oxalate and metal ion | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, AMMONIUM ION, ... | | 著者 | Malik, R, Viola, R.E. | | 登録日 | 2008-12-18 | | 公開日 | 2009-12-22 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural characterization of tartrate dehydrogenase: a versatile enzyme catalyzing multiple reactions.
Acta Crystallogr.,Sect.D, 66, 2010
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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
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3ICD
 | | STRUCTURE OF A BACTERIAL ENZYME REGULATED BY PHOSPHORYLATION, ISOCITRATE DEHYDROGENASE | | 分子名称: | ISOCITRATE DEHYDROGENASE | | 著者 | Hurley, J.H, Thorsness, P.E, Ramalingam, V, Helmers, N.H, Koshlandjunior, D.E, Stroud, R.M. | | 登録日 | 1989-12-28 | | 公開日 | 1991-01-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of a bacterial enzyme regulated by phosphorylation, isocitrate dehydrogenase.
Proc.Natl.Acad.Sci.USA, 86, 1989
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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+) | | 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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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
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5K11
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state | | 分子名称: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | 登録日 | 2016-05-17 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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5K10
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) | | 分子名称: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | 登録日 | 2016-05-17 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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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
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1LWD
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5L57
 | | Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a) | | 分子名称: | (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 | | 著者 | Levy, C. | | 登録日 | 2016-05-28 | | 公開日 | 2016-12-14 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.695 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
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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 | | 分子名称: | (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 | | 著者 | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | | 登録日 | 2015-01-21 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.291 Å) | | 主引用文献 | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
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4XXV
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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 | 2024-05-01 | | 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
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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 | | 分子名称: | 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 | | 著者 | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | | 登録日 | 2015-01-21 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
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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
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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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6ICD
 | | 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 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
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4YB4
 | | Crystal structure of homoisocitrate dehydrogenase from Thermus thermophilus in complex with homoisocitrate, magnesium ion (II) and NADH | | 分子名称: | (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Takahashi, K, Tomita, T, Kuzuyama, T, Nishiyama, M. | | 登録日 | 2015-02-18 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of homoisocitrate dehydrogenase from Thermus thermophilus in complex with homoisocitrate, magnesium(II) and NADH
To Be Published
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5M2E
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6IO0
 | | Human IDH1 R132C mutant complexed with compound A. | | 分子名称: | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ... | | 著者 | Suzuki, M, Baba, D, Hanzawa, H. | | 登録日 | 2018-10-29 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
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