7CA0
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![BU of 7ca0 by Molmil](/molmil-images/mine/7ca0) | Crystal structure of dihydroorotase in complex with 5-fluoroorotic acid from Saccharomyces cerevisiae | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, ZINC ION | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Complexed Crystal Structure of Saccharomyces cerevisiae Dihydroorotase with Inhibitor 5-Fluoroorotate Reveals a New Binding Mode. Bioinorg Chem Appl, 2021, 2021
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6JMD
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![BU of 6jmd by Molmil](/molmil-images/mine/6jmd) | Crystal structure of human DHODH in complex with inhibitor 1223 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-03-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6JKQ
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![BU of 6jkq by Molmil](/molmil-images/mine/6jkq) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi (Ligand-free form) | Descriptor: | Aspartate carbamoyltransferase | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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6JL6
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![BU of 6jl6 by Molmil](/molmil-images/mine/6jl6) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with phosphate (Pi). | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, PHOSPHATE ION | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-04 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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5H73
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![BU of 5h73 by Molmil](/molmil-images/mine/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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6JKR
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![BU of 6jkr by Molmil](/molmil-images/mine/6jkr) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP) | Descriptor: | Aspartate carbamoyltransferase, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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6JME
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![BU of 6jme by Molmil](/molmil-images/mine/6jme) | Crystal structure of human DHODH in complex with inhibitor 0946 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-03-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6JL4
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![BU of 6jl4 by Molmil](/molmil-images/mine/6jl4) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl aspartate (CA) and phosphate (Pi) | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, N-CARBAMOYL-L-ASPARTATE, ... | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-04 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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6JKS
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![BU of 6jks by Molmil](/molmil-images/mine/6jks) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP) and aspartate (Asp) | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, putative, ... | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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5HIN
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![BU of 5hin by Molmil](/molmil-images/mine/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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6JL5
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![BU of 6jl5 by Molmil](/molmil-images/mine/6jl5) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with aspartate (Asp) and phosphate (Pi). | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, GLYCEROL, ... | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-04 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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5HQE
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![BU of 5hqe by Molmil](/molmil-images/mine/5hqe) | |
6L0J
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![BU of 6l0j by Molmil](/molmil-images/mine/6l0j) | Crystal structure of Dihydroorotase in complex with malate at pH7.5 from Saccharomyces cerevisiae | Descriptor: | (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | Deposit date: | 2019-09-26 | Release date: | 2020-12-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.933 Å) | Cite: | Structural Analysis of Saccharomyces cerevisiae Dihydroorotase Reveals Molecular Insights into the Tetramerization Mechanism Molecules, 2021
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6L0A
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![BU of 6l0a by Molmil](/molmil-images/mine/6l0a) | Crystal structure of dihydroorotase in complex with malate at pH7 from Saccharomyces cerevisiae | Descriptor: | (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | Deposit date: | 2019-09-26 | Release date: | 2020-12-02 | Last modified: | 2021-12-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Analysis of Saccharomyces cerevisiae Dihydroorotase Reveals Molecular Insights into the Tetramerization Mechanism Molecules, 2021
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6LP6
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![BU of 6lp6 by Molmil](/molmil-images/mine/6lp6) | Crystal structure of human DHODH in complex with inhibitor 1214 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Chen, Q, Yu, Y. | Deposit date: | 2020-01-09 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6LP8
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![BU of 6lp8 by Molmil](/molmil-images/mine/6lp8) | Crystal structure of human DHODH in complex with inhibitor 1243 | Descriptor: | 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Chen, Q, Yu, Y. | Deposit date: | 2020-01-09 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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5HW2
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![BU of 5hw2 by Molmil](/molmil-images/mine/5hw2) | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid | Descriptor: | 1,2-ETHANEDIOL, Adenylosuccinate lyase, FUMARIC ACID, ... | Authors: | Chang, C, Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-28 | Release date: | 2016-02-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid To Be Published
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6M2B
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![BU of 6m2b by Molmil](/molmil-images/mine/6m2b) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Li, H. | Deposit date: | 2020-02-27 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein Cell, 11, 2020
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6LP7
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![BU of 6lp7 by Molmil](/molmil-images/mine/6lp7) | Crystal structure of human DHODH in complex with inhibitor 0944 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Chen, Q, Yu, Y. | Deposit date: | 2020-01-09 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6LZL
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![BU of 6lzl by Molmil](/molmil-images/mine/6lzl) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine | Descriptor: | (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Liu, Z.H, Wu, D, Lu, W.Q, Huang, J. | Deposit date: | 2020-02-19 | Release date: | 2020-04-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine To Be Published
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6JKT
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![BU of 6jkt by Molmil](/molmil-images/mine/6jkt) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with N-(PHOSPHONACETYL)-L-ASPARTIC ACID (PALA). | Descriptor: | Aspartate carbamoyltransferase, GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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5K9D
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![BU of 5k9d by Molmil](/molmil-images/mine/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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5K9C
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![BU of 5k9c by Molmil](/molmil-images/mine/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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4HIB
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![BU of 4hib by Molmil](/molmil-images/mine/4hib) | Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N4-OH | Descriptor: | CHLORIDE ION, GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ... | Authors: | To, T.K, Kotra, L.P, Pai, E.F. | Deposit date: | 2012-10-11 | Release date: | 2012-11-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist. J.Med.Chem., 55, 2012
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3KIZ
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![BU of 3kiz by Molmil](/molmil-images/mine/3kiz) | |