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9ICD
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BU of 9icd by Molmil
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
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BU of 6xxy by Molmil
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
4F7I
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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
2G4O
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BU of 2g4o by Molmil
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
8ICD
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BU of 8icd by Molmil
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
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BU of 4wuo by Molmil
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
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BU of 5tqh by Molmil
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
2IV0
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BU of 2iv0 by Molmil
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
5DE1
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BU of 5de1 by Molmil
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
8BAY
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BU of 8bay by Molmil
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
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BU of 7icd by Molmil
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
6U4J
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BU of 6u4j by Molmil
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
5M2E
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BU of 5m2e by Molmil
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
4BNP
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BU of 4bnp by Molmil
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
2QFY
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BU of 2qfy by Molmil
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with a-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, Isocitrate dehydrogenase [NADP]
著者Peng, Y.J, Ding, J.P.
登録日2007-06-28
公開日2008-07-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Protein Sci., 17, 2008
3BLW
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BU of 3blw by Molmil
Yeast Isocitrate Dehydrogenase with Citrate and AMP Bound in the Regulatory Subunits
分子名称: ADENOSINE MONOPHOSPHATE, CITRATE ANION, Isocitrate dehydrogenase [NAD] subunit 1, ...
著者Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L.
登録日2007-12-11
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
4XRX
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BU of 4xrx by Molmil
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
7PJN
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BU of 7pjn by Molmil
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
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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
1W0D
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BU of 1w0d by Molmil
The high resolution structure of Mycobacterium tuberculosis LeuB (Rv2995c)
分子名称: 3-ISOPROPYLMALATE DEHYDROGENASE, SULFATE ION
著者Singh, R.K, Kefala, G, Janowski, R, Mueller-Dieckmann, C, Weiss, M.S, TB Structural Genomics Consortium (TBSGC)
登録日2004-06-03
公開日2004-12-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The High Resolution Structure of Leub (Rv2995C) from Mycobacterium Tuberculosis
J.Mol.Biol., 346, 2005
3BLV
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Yeast Isocitrate Dehydrogenase with Citrate Bound in the Regulatory Subunits
分子名称: CITRATE ANION, Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2
著者Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L.
登録日2007-12-11
公開日2008-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
5J32
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Isopropylmalate dehydrogenase in complex with isopropylmalate
分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase 2, chloroplastic, ...
著者Jez, J.M, Lee, S.G.
登録日2016-03-30
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.933 Å)
主引用文献Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
5J33
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Isopropylmalate dehydrogenase in complex with NAD+
分子名称: 3-isopropylmalate dehydrogenase 2, chloroplastic, MAGNESIUM ION, ...
著者Jez, J.M, Lee, S.G.
登録日2016-03-30
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.492 Å)
主引用文献Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
4YB4
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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
1X0L
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Crystal structure of tetrameric homoisocitrate dehydrogenase from an extreme thermophile, Thermus thermophilus
分子名称: Homoisocitrate dehydrogenase
著者Miyazaki, J, Asada, K, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
登録日2005-03-24
公開日2005-10-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Tetrameric Homoisocitrate Dehydrogenase from an Extreme Thermophile, Thermus thermophilus: Involvement of Hydrophobic Dimer-Dimer Interaction in Extremely High Thermotolerance
J.Bacteriol., 187, 2005

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