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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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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9CB8
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with 5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione | | Descriptor: | 5-benzyl-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: | 2024-06-18 | | Release date: | 2025-06-25 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Barbituric Acid Derivatives as Covalent Inhibitors of Leishmania braziliensis Dihydroorotate Dehydrogenase.
J.Med.Chem., 68, 2025
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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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9OCM
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with (E)-5-(3-(4-nitrophenyl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione | | Descriptor: | (E)-5-(3-(4-nitrophenyl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, DIMETHYL SULFOXIDE, Dihydroorotate dehydrogenase, ... | | Authors: | Vaidergorn, M.M, Nonato, M.C, Froes, T.Q, Augusto, B.S. | | Deposit date: | 2025-04-24 | | Release date: | 2026-05-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with (E)-5-(3-(4-nitrophenyl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
To Be Published
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9OBB
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with 5-[(E)-3-(p-methoxyphenyl)-2-propenylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione | | Descriptor: | 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE | | Authors: | Vaidergorn, M.M, Nonato, M.C, Froes, T.Q, Augusto, B.S. | | Deposit date: | 2025-04-22 | | Release date: | 2026-05-06 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with 5-[(E)-3-(p-methoxyphenyl)-2-propenylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
To Be Published
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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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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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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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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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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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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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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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7WYF
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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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6GK0
 | | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ... | | Authors: | Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S. | | Deposit date: | 2018-05-17 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology.
J.Biol.Chem., 295, 2020
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6GJG
 | | Plasmodium falciparum dihydroorotate dehydrogenase DHODH in complex with 3,6-dimethyl-N-(4-(trifluoromethyl)phenyl)-(1,2)oxazolo(5,4-d)pyrimidin-4-amine | | Descriptor: | 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Rowland, P. | | Deposit date: | 2018-05-16 | | Release date: | 2018-09-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Isoxazolopyrimidine-Based Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Antimalarial Activity.
ACS Omega, 3, 2018
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3C3N
 | | Crystal structure of dihydroorotate dehydrogenase from Trypanosoma cruzi strain Y | | Descriptor: | Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Pinheiro, M.P, Iulek, J, Nonato, M.C. | | Deposit date: | 2008-01-28 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase from Y strain
Biochem.Biophys.Res.Commun., 369, 2008
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8K4F
 | | DHODH in complex with compound A0 | | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | | Authors: | Jian, L, Sun, Q. | | Deposit date: | 2023-07-18 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
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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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