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8GRU
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BU of 8gru by Molmil
Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human IDH3 in complex with ICT, NAD and Ca
Descriptor: CALCIUM ION, Human IDH3 alpha subunit, ISOCITRIC ACID, ...
Authors:Sun, P, Chen, X, Ding, J.
Deposit date:2022-09-02
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
8GRB
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BU of 8grb by Molmil
Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human IDH3
Descriptor: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isoform A of Isocitrate dehydrogenase [NAD] subunit beta
Authors:Sun, P, Chen, X, Ding, J.
Deposit date:2022-09-01
Release date:2022-12-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.848 Å)
Cite:Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
2UXR
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BU of 2uxr by Molmil
Complex with isocitrate and the protein isocitrate dehydrogenase from the psychrophilic bacterium Desulfotalea psychrophila
Descriptor: GLYCEROL, ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, ...
Authors:Fedoy, A.-E, Yang, N, Martinez, A, Leiros, H.-K.S, Steen, I.H.
Deposit date:2007-03-29
Release date:2008-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Properties of Isocitrate Dehydrogenase from the Psychrophilic Bacterium Desulfotalea Psychrophila Reveal a Cold -Active Enzyme with an Unusual High Thermal
J.Mol.Biol., 372, 2007
2UXQ
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BU of 2uxq by Molmil
Isocitrate dehydrogenase from the psychrophilic bacterium Desulfotalea psychrophila: biochemical properties and crystal structure analysis
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, ISOCITRATE DEHYDROGENASE NATIVE, ...
Authors:Fedoy, A.-E, Yang, N, Martinez, A, Leiros, H.-K.S, Steen, I.H.
Deposit date:2007-03-29
Release date:2008-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Functional Properties of Isocitrate Dehydrogenase from the Psychrophilic Bacterium Desulfotalea Psychrophila Reveal a Cold -Active Enzyme with an Unusual High Thermal
J.Mol.Biol., 372, 2007
6BKX
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BU of 6bkx by Molmil
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1
Descriptor: (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ...
Authors:Jakob, C.G, Qiu, W.
Deposit date:2017-11-09
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
6BL1
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BU of 6bl1 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13
Descriptor: (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ...
Authors:Jakob, C.G, Qiu, W.
Deposit date:2017-11-09
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
2AYQ
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BU of 2ayq by Molmil
3-ISOPROPYLMALATE DEHYDROGENASE FROM THE MODERATE FACULTATIVE THERMOPHILE, BACILLUS COAGULANS
Descriptor: 3-ISOPROPYLMALATE DEHYDROGENASE
Authors:Tsuchiya, D, Takenaka, A.
Deposit date:1998-02-20
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of 3-isopropylmalate dehydrogenase from the moderate facultative thermophile, Bacillus coagulans: two strategies for thermostabilization of protein structures.
J.Biochem.(Tokyo), 122, 1997
2QFX
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BU of 2qfx by Molmil
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with NADPH, a-ketoglutarate and Ca(2+)
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
Authors:Peng, Y.J, Ding, J.P.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
2DHT
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BU of 2dht by Molmil
Crystal structure of isocitrate dehydrogenase from Sulfolobus tokodaii strain7
Descriptor: 409aa long hypothetical NADP-dependent isocitrate dehydrogenase
Authors:Kondo, H, Murakami, M, Ihara, K, Suzuki, S, Kouyama, T.
Deposit date:2006-03-25
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of isocitrate dehydrogenase of Sulfolobus tokodaii strain7
To be Published
2E0C
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BU of 2e0c by Molmil
crystal structure of isocitrate dehydrogenase from Sulfolobus tokodaii strain7 at 2.0 A resolution
Descriptor: 409aa long hypothetical NADP-dependent isocitrate dehydrogenase
Authors:Kouyama, T.
Deposit date:2006-10-06
Release date:2007-10-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of the Putative Isocitrate Dehydrogenase fromSulfolobus tokodaiiStrain 7 in the Apo and NADP+-Bound Forms.
Archaea, 2018, 2018
2E5M
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BU of 2e5m by Molmil
Crystal structure of isocitrate dehydrogenase from Sulfolobus tokodaii strain 7
Descriptor: 409aa long hypothetical NADP-dependent isocitrate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kouyama, T, Kondo, H.
Deposit date:2006-12-22
Release date:2008-01-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of the Putative Isocitrate Dehydrogenase fromSulfolobus tokodaiiStrain 7 in the Apo and NADP+-Bound Forms.
Archaea, 2018, 2018
2D4V
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BU of 2d4v by Molmil
Crystal structure of NAD dependent isocitrate dehydrogenase from Acidithiobacillus thiooxidans
Descriptor: CITRATE ANION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, isocitrate dehydrogenase
Authors:Imada, K, Tamura, T, Namba, K, Inagaki, K.
Deposit date:2005-10-24
Release date:2006-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and quantum chemical analysis of NAD+-dependent isocitrate dehydrogenase: hydride transfer and co-factor specificity
Proteins, 70, 2008
5K11
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BU of 5k11 by Molmil
Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state
Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
Deposit date:2016-05-17
Release date:2016-06-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
5K10
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BU of 5k10 by Molmil
Cryo-EM structure of isocitrate dehydrogenase (IDH1)
Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
Deposit date:2016-05-17
Release date:2016-06-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
5L57
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BU of 5l57 by Molmil
Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)
Descriptor: (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
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.695 Å)
Cite: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
5L58
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BU of 5l58 by Molmil
Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2)
Descriptor: 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
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.04 Å)
Cite: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
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BU of 5lge by Molmil
Crystal Structure of human IDH1 mutant (R132H) in complex with NADP+ and an Inhibitor related to BAY 1436032
Descriptor: 1,2-ETHANEDIOL, 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid, ACETATE ION, ...
Authors:Hillig, R.C, Hars, U, Korndoerfer, I.P.
Deposit date:2016-07-07
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo.
Acta Neuropathol., 133, 2017
5J33
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BU of 5j33 by Molmil
Isopropylmalate dehydrogenase in complex with NAD+
Descriptor: 3-isopropylmalate dehydrogenase 2, chloroplastic, MAGNESIUM ION, ...
Authors:Jez, J.M, Lee, S.G.
Deposit date:2016-03-30
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.492 Å)
Cite:Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
5J32
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BU of 5j32 by Molmil
Isopropylmalate dehydrogenase in complex with isopropylmalate
Descriptor: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase 2, chloroplastic, ...
Authors:Jez, J.M, Lee, S.G.
Deposit date:2016-03-30
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
8VHE
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BU of 8vhe by Molmil
Crystal Structure of Human IDH1 R132Q in Complex with NADPH-TCEP Adduct
Descriptor: 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Mealka, M, Sohl, C.D, Huxford, T.
Deposit date:2023-12-31
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Nat Commun, 15, 2024
8VHB
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BU of 8vhb by Molmil
Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate
Descriptor: (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
Authors:Mealka, M, Sohl, C.D, Huxford, T.
Deposit date:2023-12-31
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Nat Commun, 15, 2024
8VH9
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BU of 8vh9 by Molmil
Crystal Structure of Human IDH1 R132Q in complex with NADPH
Descriptor: CITRIC ACID, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Mealka, M, Sohl, C.D, Huxford, T.
Deposit date:2023-12-31
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Nat Commun, 15, 2024
8VHD
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BU of 8vhd by Molmil
Crystal Structure of Human IDH1 R132Q in complex with NADPH and Isocitrate
Descriptor: CALCIUM ION, GLYCEROL, IODIDE ION, ...
Authors:Mealka, M, Sohl, C.D, Huxford, T.
Deposit date:2023-12-31
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Nat Commun, 15, 2024
8VHA
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BU of 8vha by Molmil
Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate
Descriptor: (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
Authors:Mealka, M, Sohl, C.D, Huxford, T.
Deposit date:2023-12-31
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Nat Commun, 15, 2024
1SJS
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BU of 1sjs by Molmil
ACCESS TO PHOSPHORYLATION IN ISOCITRATE DEHYDROGENASE MAY OCCUR BY DOMAIN SHIFTING
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-07-08
Release date:1997-12-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Access to phosphorylation in isocitrate dehydrogenase may occur by domain shifting.
Biochemistry, 36, 1997

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