6BKY
 
 | | Novel Binding Modes of Inhibition of Wild-Type IDH1: Allosteric Inhibition with Cmpd2 | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | 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 (2.17 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
|
|
6BL1
 | | 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
|
|
6BKZ
 | | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | | Descriptor: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 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 (2.01 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
|
|
3VMJ
 | | 3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CHLORIDE ION, ... | | Authors: | Nagae, T, Watanabe, N. | | Deposit date: | 2011-12-13 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural analysis of 3-isopropylmalate dehydrogenase from the obligate piezophile Shewanella benthica DB21MT-2 and the nonpiezophile Shewanella oneidensis MR-1
Acta Crystallogr.,Sect.F, 68, 2012
|
|
3VL3
 | |
3VL2
 | |
3VML
 | |
3VL6
 | |
3VKZ
 | |
3VL4
 | |
3VL7
 | |
3VMK
 | | 3-isopropylmalate dehydrogenase from Shewanella benthica DB21 MT-2 | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CHLORIDE ION, ... | | Authors: | Nagae, T, Watanabe, N. | | Deposit date: | 2011-12-13 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural analysis of 3-isopropylmalate dehydrogenase from the obligate piezophile Shewanella benthica DB21MT-2 and the nonpiezophile Shewanella oneidensis MR-1
Acta Crystallogr.,Sect.F, 68, 2012
|
|
3WZY
 | |
3WZW
 | |
3WZV
 | |
3WZX
 | |
4AJS
 | | 3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with isocitrate, magnesium(II), Adenosine 2',5'-biphosphate and ribosylnicotinamide-5'-phosphate | | Descriptor: | ADENOSINE-2'-5'-DIPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ISOCITRATE DEHYDROGENASE [NADP], ... | | Authors: | Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M. | | Deposit date: | 2012-02-17 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
|
|
4AJ3
 | | 3D structure of E. coli Isocitrate Dehydrogenase in complex with Isocitrate, calcium(II) and NADP - The pseudo-Michaelis complex | | Descriptor: | CALCIUM ION, ISOCITRIC ACID, NADP ISOCITRATE DEHYDROGENASE, ... | | Authors: | Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M. | | Deposit date: | 2012-02-15 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
|
|
4AOV
 | | DpIDH-NADP. The complex structures of Isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila, support a new active site locking mechanism | | Descriptor: | ISOCITRATE DEHYDROGENASE [NADP], ISOCITRIC ACID, MAGNESIUM ION, ... | | Authors: | Leiros, H.-K.S, Fedoy, A.-E, Leiros, I, Steen, I.H. | | Deposit date: | 2012-03-30 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Complex Structures of Isocitrate Dehydrogenase from Clostridium Thermocellum and Desulfotalea Psychrophila Suggest a New Active Site Locking Mechanism
FEBS Open Bio., 2, 2012
|
|
4AJA
 | | 3D structure of E. coli Isocitrate Dehydrogenase in complex with Isocitrate, calcium(II) and thioNADP | | Descriptor: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M. | | Deposit date: | 2012-02-16 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
|
|
4AJB
 | | 3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with Isocitrate, magnesium(II) and thioNADP | | Descriptor: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ISOCITRIC ACID, MAGNESIUM ION, ... | | Authors: | Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M. | | Deposit date: | 2012-02-16 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
|
|
4AJC
 | | 3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with alpha-ketoglutarate, calcium(II) and adenine nucleotide phosphate | | Descriptor: | 2-OXOGLUTARIC ACID, ADENOSINE-2'-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M. | | Deposit date: | 2012-02-16 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
|
|
4AJR
 | | 3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with alpha-ketoglutarate, magnesium(II) and NADPH - The product complex | | Descriptor: | 2-OXOGLUTARIC ACID, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ISOCITRATE DEHYDROGENASE [NADP], ... | | Authors: | Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M. | | Deposit date: | 2012-02-17 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.687 Å) | | Cite: | Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
|
|
4AOU
 | | CtIDH bound to NADP. The complex structures of Isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila, support a new active site locking mechanism | | Descriptor: | ISOCITRATE DEHYDROGENASE [NADP], ISOCITRIC ACID, MAGNESIUM ION, ... | | Authors: | Leiros, H.-K.S, Fedoy, A.-E, Leiros, I, Steen, I.H. | | Deposit date: | 2012-03-30 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The complex structures of isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila suggest a new active site locking mechanism.
Febs Open Bio, 2, 2012
|
|
4BNP
 | | 3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with isocitrate and magnesium(II) | | Descriptor: | ISOCITRATE DEHYDROGENASE [NADP], ISOCITRIC ACID, MAGNESIUM ION, ... | | Authors: | Miller, S.P, Goncalves, S, Matias, P.M, Dean, A.M. | | Deposit date: | 2013-05-16 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolution of a Transition State: Role of Lys100 in the Active Site of Isocitrate Dehydrogenase.
Chembiochem, 15, 2014
|
|
