5FI8
 
 | | Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine) | | Descriptor: | 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Kokkonda, S, Tomchick, D, Phillips, M. | | Deposit date: | 2015-12-22 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
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5H2Z
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5H73
 | | Crystal structure of human DHODH with 18F | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Huang, J, Wu, D. | | Deposit date: | 2016-11-16 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of human DHODH with 18F at 1.58 Angstroms resolution
To Be Published
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5HIN
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L compound | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Huang, J, Wu, D, Lu, Q, Yao, X. | | Deposit date: | 2016-01-12 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L at 1.60 A resolution
To Be Published
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5HQE
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5K9C
 | | Crystal structure of human dihydroorotate dehydrogenase with ML390 | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | | Deposit date: | 2016-05-31 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
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5K9D
 | | Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | | Deposit date: | 2016-05-31 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
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5KSW
 | | DHODB-I74D mutant | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dihydroorotate dehydrogenase, ... | | Authors: | Pompeu, Y.A, Stewart, J.D. | | Deposit date: | 2016-07-10 | | Release date: | 2016-08-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Isoleucine 74 Plays a Key Role in Controlling Electron Transfer Between Lactococcus lactis Dihydroorotate Dehydrogenase 1B Subunits
To Be Published
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5MUT
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-14 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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5MVC
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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5MVD
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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5TBO
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421 | | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M. | | Deposit date: | 2016-09-12 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
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5UE9
 | | WT DHODB with orotate bound | | Descriptor: | CHLORIDE ION, Dihydroorotate dehydrogenase, Dihydroorotate dehydrogenase B (NAD(+)), ... | | Authors: | Pompeu, Y.A, Stewart, J.D. | | Deposit date: | 2016-12-29 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Isoleucine 74 Plays a Key Role in Controlling Electron Transfer Between Lactococcus lactis Dihydroorotate Dehydrogenase 1B Subunits
to be published
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5XFV
 | | Crystal structures of FMN-bound form of dihydroorotate dehydrogenase from Trypanosoma brucei | | Descriptor: | Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, MALONATE ION | | Authors: | Kubota, T, Tani, O, Yamaguchi, T, Namatame, I, Sakashita, H, Furukawa, K, Yamasaki, K. | | Deposit date: | 2017-04-11 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structures of FMN-bound and FMN-free forms of dihydroorotate dehydrogenase fromTrypanosoma brucei.
FEBS Open Bio, 8, 2018
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5XFW
 | | Crystal structures of FMN-free form of dihydroorotate dehydrogenase from Trypanosoma brucei | | Descriptor: | Dihydroorotate dehydrogenase (fumarate), MALONATE ION | | Authors: | Kubota, T, Tani, O, Yamaguchi, T, Namatame, I, Sakashita, H, Furukawa, K, Yamasaki, K. | | Deposit date: | 2017-04-11 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of FMN-bound and FMN-free forms of dihydroorotate dehydrogenase fromTrypanosoma brucei.
FEBS Open Bio, 8, 2018
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5ZF4
 | | Structure of human dihydroorotate dehydrogenase in complex with 275-10-COOMe | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | Deposit date: | 2018-03-02 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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5ZF7
 | | Structure of human dihydroorotate dehydrogenase in complex with 277-9-OH | | Descriptor: | 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | Deposit date: | 2018-03-02 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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5ZF8
 | | Structure of human dihydroorotate dehydrogenase in complex with 277-11-OAc | | Descriptor: | (2S,3E,7E)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | Deposit date: | 2018-03-02 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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5ZF9
 | | Structure of human dihydroorotate dehydrogenase in complex with 280-12 | | Descriptor: | 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | Deposit date: | 2018-03-02 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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5ZFA
 | | Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr | | Descriptor: | (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | Deposit date: | 2018-03-02 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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5ZFB
 | | Structure of human dihydroorotate dehydrogenase in complex with ascofuranone (open-form) | | Descriptor: | 3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | Deposit date: | 2018-03-02 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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6AJ5
 | | Crystal structure of ligand-free type DHODH from Eimeria tenella | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target.
Genes (Basel), 11, 2020
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6AJE
 | | Crystal structure of DHODH in complex with ferulenol from Eimeria tenella | | Descriptor: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target.
Genes (Basel), 11, 2020
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6B8S
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6CJF
 | | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | | Descriptor: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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