5MVD
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![BU of 5mvd by Molmil](/molmil-images/mine/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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6PV6
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![BU of 6pv6 by Molmil](/molmil-images/mine/6pv6) | Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | Deposit date: | 2019-07-19 | Release date: | 2020-08-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Retrieving functional pathways of biomolecules from single-particle snapshots. Nat Commun, 11, 2020
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5MVC
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![BU of 5mvc by Molmil](/molmil-images/mine/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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5NXA
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![BU of 5nxa by Molmil](/molmil-images/mine/5nxa) | Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL)in complex with its products AICAR and fumarate | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Adenylosuccinate lyase, CHLORIDE ION, ... | Authors: | Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. | Deposit date: | 2017-05-09 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
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8K4F
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![BU of 8k4f by Molmil](/molmil-images/mine/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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5NX8
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![BU of 5nx8 by Molmil](/molmil-images/mine/5nx8) | Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL) | Descriptor: | Adenylosuccinate lyase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. | Deposit date: | 2017-05-09 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
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6G74
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![BU of 6g74 by Molmil](/molmil-images/mine/6g74) | |
1XJW
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![BU of 1xjw by Molmil](/molmil-images/mine/1xjw) | The Structure of E. coli Aspartate Transcarbamoylase Q137A Mutant in The R-State | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ... | Authors: | Stieglitz, K.A, Alam, N, Xia, J, Gourinath, S, Tsuruta, H, Kantrowitz, E.R. | Deposit date: | 2004-09-25 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A Single Amino Acid Substitution in the Active Site of Escherichia coli Aspartate Transcarbamoylase Prevents the Allosteric Transition. J.Mol.Biol., 349, 2005
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5NX9
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![BU of 5nx9 by Molmil](/molmil-images/mine/5nx9) | Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL) in complex with its products AMP and fumarate | Descriptor: | 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... | Authors: | Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. | Deposit date: | 2017-05-09 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
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1ZA2
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![BU of 1za2 by Molmil](/molmil-images/mine/1za2) | Structure of wild-type E. coli Aspartate Transcarbamoylase in the presence of CTP, carbamoyl phosphate at 2.50 A resolution | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Wang, J, Stieglitz, K.A, Cardia, J.P, Kantrowitz, E.R. | Deposit date: | 2005-04-05 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for ordered substrate binding and cooperativity in aspartate transcarbamoylase Proc.Natl.Acad.Sci.Usa, 102, 2005
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2A0F
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![BU of 2a0f by Molmil](/molmil-images/mine/2a0f) | Structure of D236A mutant E. coli Aspartate Transcarbamoylase in presence of Phosphonoacetamide at 2.90 A resolution | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, PHOSPHONOACETAMIDE, ... | Authors: | Stieglitz, K.A, Dusinberre, K.J, Cardia, J.P, Tsuruta, H, Kantrowitz, E.R. | Deposit date: | 2005-06-16 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the E.coli Aspartate Transcarbamoylase Trapped in the Middle of the Catalytic Cycle. J.Mol.Biol., 352, 2005
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1YIS
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![BU of 1yis by Molmil](/molmil-images/mine/1yis) | Structural genomics of Caenorhabditis elegans: adenylosuccinate lyase | Descriptor: | SULFATE ION, adenylosuccinate lyase | Authors: | Symersky, J, Schormann, N, Lu, S, Zhang, Y, Karpova, E, Qiu, S, Huang, W, Cao, Z, Zhou, J, Luo, M, Arabshahi, A, McKinstry, A, Luan, C.-H, Luo, D, Johnson, D, An, J, Tsao, J, Delucas, L, Shang, Q, Gray, R, Li, S, Bray, T, Chen, Y.-J, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-01-12 | Release date: | 2005-01-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural genomics of Caenorhabditis elegans: adenylosuccinate lyase To be Published
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2AQW
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![BU of 2aqw by Molmil](/molmil-images/mine/2aqw) | Structure of putative orotidine-monophosphate-decarboxylase from Plasmodium yoelii (PY01515) | Descriptor: | IODIDE ION, SULFATE ION, putative orotidine-monophosphate-decarboxylase | Authors: | Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-18 | Release date: | 2005-08-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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5EA9
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![BU of 5ea9 by Molmil](/molmil-images/mine/5ea9) | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130 | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ... | Authors: | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | Deposit date: | 2015-10-15 | Release date: | 2016-10-19 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity To be Published
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4HKP
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![BU of 4hkp by Molmil](/molmil-images/mine/4hkp) | Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N3-oxide | Descriptor: | 5-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ... | Authors: | To, T.K, Kotra, L.P, Pai, E.F. | Deposit date: | 2012-10-15 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist. J.Med.Chem., 55, 2012
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7AM9
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![BU of 7am9 by Molmil](/molmil-images/mine/7am9) | OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-10-08 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6F48
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![BU of 6f48 by Molmil](/molmil-images/mine/6f48) | Structure of quinolinate synthase with reaction intermediates X and Y | Descriptor: | 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid, 5-hydroxy,-4,5-dihydroquinolinate, CHLORIDE ION, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2017-11-29 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA. ACS Chem. Biol., 13, 2018
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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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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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6F4D
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![BU of 6f4d by Molmil](/molmil-images/mine/6f4d) | |
4JGD
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![BU of 4jgd by Molmil](/molmil-images/mine/4jgd) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 | Descriptor: | 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Zhu, J, Ren, X, Li, H. | Deposit date: | 2013-03-01 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 TO BE PUBLISHED
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4JTT
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![BU of 4jtt by Molmil](/molmil-images/mine/4jtt) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 066 | Descriptor: | 2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Zhu, L, Li, H, Zhu, J, Ren, X. | Deposit date: | 2013-03-24 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 TO BE PUBLISHED
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