3TQ0
 
 | | Crystal structure of Leishmania major dihydroorotate dehydrogenase in complex with fumarate | | Descriptor: | Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, FUMARIC ACID, ... | | Authors: | Cordeiro, A.T, Feliciano, P.R, Nonato, M.C. | | Deposit date: | 2011-09-08 | | Release date: | 2012-05-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of dihydroorotate dehydrogenase from Leishmania major.
Biochimie, 94, 2012
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6UY4
 | | Crystal structure of dihydroorotate dehydrogenase from Schistosoma mansoni | | Descriptor: | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Mori, R.M, Zapata, L.C.C, Nonato, M.C. | | Deposit date: | 2019-11-11 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Structural basis for the function and inhibition of dihydroorotate dehydrogenase from Schistosoma mansoni.
Febs J., 288, 2021
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9N68
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with 5-(3-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione | | Descriptor: | 5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Froes, T.Q, Vaidergorn, M.M, dos Santos, T, Leite, P.I.P.L, Godoi, B.F, Emery, F.S, Nonato, M.C. | | Deposit date: | 2025-02-05 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Barbituric Acid Derivatives as Covalent Inhibitors of Leishmania braziliensis Dihydroorotate Dehydrogenase.
J.Med.Chem., 68, 2025
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9N6O
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania braziliensis in complex with 5-(4-hydroxy-3-methoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione | | Descriptor: | 5-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Froes, T.Q, Vaidergorn, M.M, Leite, P.I.P.L, Godoi, B.F, dos Santos, T, Emery, F.S, Nonato, M.C. | | Deposit date: | 2025-02-05 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Barbituric Acid Derivatives as Covalent Inhibitors of Leishmania braziliensis Dihydroorotate Dehydrogenase.
J.Med.Chem., 68, 2025
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9I2Y
 | | Human DHODH in Complex with QC6352 | | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-01-22 | | Release date: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human DHODH in Complex with QC6352
To Be Published
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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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6OC1
 | | Crystal structure of human DHODH with TAK-632 | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Durst, M.A, Lavie, A. | | Deposit date: | 2019-03-21 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
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7WYF
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8YHR
 | | DHODH in complex with furocoumavirin | | Descriptor: | 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Hara, K, Okumura, H, Nakahara, M, Sato, M, Hashimoto, H, Osada, H, Watanabe, K. | | Deposit date: | 2024-02-28 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Analyses of Inhibition of Human Dihydroorotate Dehydrogenase by Antiviral Furocoumavirin.
Biochemistry, 63, 2024
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2WV8
 | | Complex of human dihydroorotate dehydrogenase with the inhibitor 221290 | | Descriptor: | 2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | | Authors: | Walse, B, Svensson, B, Fritzson, I, Dahlberg, L, Wellmar, U, Al-Karadaghi, S. | | Deposit date: | 2009-10-15 | | Release date: | 2010-08-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of Human Dhodh by 4-Hydroxycoumarins, Fenamic Acids, and N-(Alkylcarbonyl)Anthranilic Acids Identified by Structure-Guided Fragment Selection.
Chemmedchem, 5, 2010
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8RAK
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7Z6C
 | | Crystal structure of human Dihydroorotate Dehydrogenase in complex with the inhibitor 2-Hydroxy-N-(2-ispropyl-5-methyl-4-phenoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide. | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Alberti, M, Lolli, M.L, Boschi, D, Sainas, S, Rizzi, M, Ferraris, D.M, Miggiano, R. | | Deposit date: | 2022-03-11 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2-Hydroxypyrazolo[1,5- a ]pyridine Scaffold: SAR of the Aryloxyaryl Moiety.
J.Med.Chem., 65, 2022
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9S1I
 | | Crystal structure of human Dihydroorotate Dehydrogenase in complex with arzanol | | Descriptor: | 3-[[3-ethanoyl-5-(3-methylbut-2-enyl)-2,4,6-tris(oxidanyl)phenyl]methyl]-6-ethyl-5-methyl-4-oxidanyl-pyran-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Alberti, M, Miggiano, R. | | Deposit date: | 2025-07-18 | | Release date: | 2025-11-12 | | Last modified: | 2025-12-10 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Arzanol Inhibits Human Dihydroorotate Dehydrogenase and Shows Antiviral Activity.
J.Nat.Prod., 88, 2025
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6SYP
 | | Human DHODH bound to inhibitor IPP/CNRS-A017 | | Descriptor: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Kraemer, A, Janin, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-09-30 | | Release date: | 2019-10-09 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | IPP/CNRS-A017: A chemical probe for human dihydroorotate dehydrogenase (hDHODH)
Curr Res Chem Biol, 2, 2022
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6QU7
 | | Crystal structure of human DHODH in complex with BAY 2402234 | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Friberg, A, Gradl, S. | | Deposit date: | 2019-02-26 | | Release date: | 2019-06-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.
Leukemia, 33, 2019
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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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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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7K2U
 | | DHODH IN COMPLEX WITH LIGAND 13 | | Descriptor: | 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2020-09-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A carboxylic acid isostere screen of the DHODH inhibitor Brequinar.
Bioorg.Med.Chem.Lett., 30, 2020
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4IGH
 | | High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog | | Descriptor: | 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Deng, X, Das, P, Fontoura, B.M.A, Phillips, M.A, De Brabander, J.K. | | Deposit date: | 2012-12-17 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity.
ACS MED.CHEM.LETT., 4, 2013
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4EF8
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with Phenyl isothiocyanate | | Descriptor: | Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Pinheiro, M.P, Emery, F.S, Nonato, M.C. | | Deposit date: | 2012-03-29 | | Release date: | 2012-12-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Target sites for the design of anti-trypanosomatid drugs based on the structure of dihydroorotate dehydrogenase.
Curr.Pharm.Des., 19, 2013
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4EF9
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 4-Nitrophenyl isothiocyanate | | Descriptor: | Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Pinheiro, M.P, Emery, F.S, Nonato, M.C. | | Deposit date: | 2012-03-29 | | Release date: | 2012-12-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Target sites for the design of anti-trypanosomatid drugs based on the structure of dihydroorotate dehydrogenase.
Curr.Pharm.Des., 19, 2013
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6EBS
 | | Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate | | Descriptor: | Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Reis, R.A.G, Pinheiro, M.P, de Souza, A.L, Hunter, W.N, Nonato, M.C. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate
To Be Published
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8VHL
 | | Structure of DHODH in Complex with Ligand 17 | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-01-02 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8VHM
 | | Structure of DHODH in Complex with Fragment 2 | | Descriptor: | ACETATE ION, CHLORIDE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-01-02 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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7MX6
 | | Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol | | Descriptor: | 4-(1H-pyrrol-1-yl)aniline, Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Pinheiro, M.P, Hunter, W.N, Cardoso, I.A, Nonato, M.C. | | Deposit date: | 2021-05-18 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol
To be Published
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