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6VND
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BU of 6vnd by Molmil
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
Descriptor: 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-01-29
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
7Z6C
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BU of 7z6c by Molmil
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
2WV8
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BU of 2wv8 by Molmil
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:2018-01-17
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
6QU7
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BU of 6qu7 by Molmil
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:2019-10-16
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
1OVD
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BU of 1ovd by Molmil
THE K136E MUTANT OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE A IN COMPLEX WITH OROTATE
Descriptor: DIHYDROOROTATE DEHYDROGENASE A, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
Deposit date:2003-03-26
Release date:2003-08-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function.
J.Biol.Chem., 278, 2003
8OFW
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BU of 8ofw by Molmil
Crystal structure of the full-length dihydroorotate dehydrogenase from Mycobacterium tuberculosis
Descriptor: Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE
Authors:Alberti, M, Ferraris, D.M, Miggiano, R.
Deposit date:2023-03-17
Release date:2023-09-06
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Biochemical characterization of Mycobacterium tuberculosis dihydroorotate dehydrogenase and identification of a selective inhibitor.
Febs Lett., 597, 2023
7K2U
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BU of 7k2u by Molmil
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
5TBO
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BU of 5tbo by Molmil
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
7UT5
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BU of 7ut5 by Molmil
Acinetobacter baumannii dihydroorotate dehydrogenase bound with inhibitor DSM186
Descriptor: (4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M, Tomchick, D.
Deposit date:2022-04-26
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Repurposed dihydroorotate dehydrogenase inhibitors with efficacy against drug-resistant Acinetobacter baumannii.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WYF
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BU of 7wyf by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhu, L, Li, H.
Deposit date:2022-02-16
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50
To Be Published
1TV5
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BU of 1tv5 by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor
Descriptor: (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, Dihydroorotate dehydrogenase homolog, ...
Authors:Hurt, D.E, Widom, J, Clardy, J.
Deposit date:2004-06-27
Release date:2005-09-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor.
Acta Crystallogr.,Sect.D, 62, 2006
1UUM
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BU of 1uum by Molmil
Rat dihydroorotate dehydrogenase (DHOD)in complex with atovaquone
Descriptor: 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-3,4-DIHYDROXY-1(2H)-NAPHTHALENONE, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ...
Authors:Hansen, M, Le Nours, J, Johansson, E, Antal, T, Ullrich, A, Loffler, M, Larsen, S.
Deposit date:2004-01-06
Release date:2004-04-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibitor Binding in a Class 2 Dihydroorotate Dehydrogenase Causes Variations in the Membrane-Associated N-Terminal Domain
Protein Sci., 13, 2004
1UUO
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BU of 1uuo by Molmil
Rat dihydroorotate dehydrogenase (DHOD)in complex with brequinar
Descriptor: 6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ...
Authors:Hansen, M, Le Nours, J, Johansson, E, Antal, T, Ullrich, A, Loffler, M, Larsen, S.
Deposit date:2004-01-08
Release date:2004-04-01
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Inhibitor Binding in a Class 2 Dihydroorotate Dehydrogenase Causes Variations in the Membrane-Associated N-Terminal Domain
Protein Sci., 13, 2004
8DHF
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BU of 8dhf by Molmil
DHODH IN COMPLEX WITH LIGAND 11
Descriptor: (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Shaffer, P.L.
Deposit date:2022-06-27
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
8DHG
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BU of 8dhg by Molmil
DHODH IN COMPLEX WITH LIGAND 19
Descriptor: (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Shaffer, P.L.
Deposit date:2022-06-27
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
8DHH
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BU of 8dhh by Molmil
DHODH IN COMPLEX WITH LIGAND 29
Descriptor: (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Shaffer, P.L.
Deposit date:2022-06-27
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
2PRM
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BU of 2prm by Molmil
The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site
Descriptor: Dihydroorotate dehydrogenase, mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Walse, B, Dufe, V.T, Al-Karadaghi, S.
Deposit date:2007-05-04
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structures of human dihydroorotate dehydrogenase with and without inhibitor reveal conformational flexibility in the inhibitor and substrate binding sites
Biochemistry, 47, 2008
2PRL
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BU of 2prl by Molmil
The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site
Descriptor: 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
Authors:Walse, B, Dufe, V.T, Al-Karadaghi, S.
Deposit date:2007-05-04
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structures of human dihydroorotate dehydrogenase with and without inhibitor reveal conformational flexibility in the inhibitor and substrate binding sites
Biochemistry, 47, 2008
2PRH
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BU of 2prh by Molmil
The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site
Descriptor: 6-CHLORO-2-(2'-FLUOROBIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Dihydroorotate dehydrogenase, ...
Authors:Walse, B, Dufe, V.T, Al-Karadaghi, S.
Deposit date:2007-05-04
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structures of human dihydroorotate dehydrogenase with and without inhibitor reveal conformational flexibility in the inhibitor and substrate binding sites
Biochemistry, 47, 2008
6SYP
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BU of 6syp by Molmil
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:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor
Eur.J.Med.Chem., 208, 2020
2FPV
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BU of 2fpv by Molmil
Dual binding mode of a novel series of DHODH inhibitors
Descriptor: 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
Authors:Baumgartner, R, Leban, J.
Deposit date:2006-01-17
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
2FPT
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BU of 2fpt by Molmil
Dual Binding Mode of a Novel Series of DHODH inhibitors
Descriptor: 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
Authors:Baumgartner, R, Walloschek, M, Kralik, M, Gotschlich, A, Tasler, S, Leban, J.
Deposit date:2006-01-17
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
3MHU
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BU of 3mhu by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Nitroorotic acid
Descriptor: 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
Deposit date:2010-04-08
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
3MJY
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BU of 3mjy by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Aminoorotic acid
Descriptor: 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
Deposit date:2010-04-13
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
2FPY
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BU of 2fpy by Molmil
Dual binding mode of a novel series of DHODH inhibitors
Descriptor: 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
Authors:Baumgartner, R, Leban, J.
Deposit date:2006-01-17
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006

217705

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