3N34
 
 | | Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP, produced from 5-fluoro-6-azido-UMP | | Descriptor: | 1,2-ETHANEDIOL, 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), DI(HYDROXYETHYL)ETHER, ... | | Authors: | Liu, Y, Kotra, L.P, Pai, E.F. | | Deposit date: | 2010-05-19 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP, produced from 5-fluoro-6-azido-UMP
To be Published
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6KJB
 | | wild-type apo-form E. coli ATCase holoenzyme with an unusual open conformation of R167 | | Descriptor: | Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION | | Authors: | Wang, N, Lei, Z, Zheng, J, Jia, Z.C. | | Deposit date: | 2019-07-22 | | Release date: | 2020-06-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Conformational Plasticity of the Active Site Entrance inE. coliAspartate Transcarbamoylase and Its Implication in Feedback Regulation.
Int J Mol Sci, 21, 2020
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3KVK
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid, Dihydroorotate dehydrogenase, ... | | Authors: | McLean, L, Zhang, Y. | | Deposit date: | 2009-11-30 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
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3KVJ
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3L0N
 | | Human orotidyl-5'-monophosphate decarboxylase in complex with 6-mercapto-UMP | | Descriptor: | 6-sulfanyluridine-5'-phosphate, Uridine 5'-monophosphate synthase | | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | Deposit date: | 2009-12-10 | | Release date: | 2010-01-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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3EX3
 | | human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, covalent adduct | | Descriptor: | GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Heinrich, D, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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3N3M
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3EWU
 | | D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP, covalent adduct | | Descriptor: | 6-ethyluridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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3EWX
 | | K314A mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, degraded to BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine-5'-phosphate decarboxylase | | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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8JBD
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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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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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6HV2
 | | MMP-13 in complex with the peptide IMISF | | Descriptor: | CALCIUM ION, Collagenase 3, GLYCEROL, ... | | Authors: | Mittl, P, Riedl, R, Hohl, D. | | Deposit date: | 2018-10-10 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.709 Å) | | Cite: | Drug Design Inspired by Nature: Crystallographic Detection of an Auto-Tailored Protease Inhibitor Template.
Angew.Chem.Int.Ed.Engl., 58, 2019
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8AT1
 | | CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H | | Descriptor: | ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ... | | Authors: | Gouaux, J.E, Stevens, R.C, Lipscomb, W.N. | | Deposit date: | 1989-09-22 | | Release date: | 1990-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of aspartate carbamoyltransferase ligated with phosphonoacetamide, malonate, and CTP or ATP at 2.8-A resolution and neutral pH.
Biochemistry, 29, 1990
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8CSO
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8HYJ
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2HZP
 | | Crystal Structure of Homo Sapiens Kynureninase | | Descriptor: | Kynureninase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Lima, S, Khristoforov, R, Momany, C, Phillips, R.S. | | Deposit date: | 2006-08-09 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Homo sapiens Kynureninase.
Biochemistry, 46, 2007
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2IJ9
 | | Crystal Structure of Uridylate Kinase from Archaeoglobus Fulgidus | | Descriptor: | SULFATE ION, Uridylate kinase | | Authors: | Patskovsky, Y, Chen, R, Keefe, L.J, Sauder, J.M, Dickey, M, Adams, J.M, Ozyurt, S, Wasserman, S.R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-29 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of Uridylate Kinase from Archaeoglobus Fulgidus
To be Published
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2IP4
 | | Crystal Structure of Glycinamide Ribonucleotide Synthetase from Thermus thermophilus HB8 | | Descriptor: | Phosphoribosylamine--glycine ligase, SULFATE ION | | Authors: | Sampei, G, Baba, S, Kanagawa, M, Yanai, H, Ishii, T, Kawai, H, Fukai, Y, Ebihara, A, Nakagawa, N, Kawai, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-10-11 | | Release date: | 2007-10-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of glycinamide ribonucleotide synthetase, PurD, from thermophilic eubacteria
J.Biochem., 148, 2010
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6JIU
 | | Structure of RyR2 (F/A/C/L-Ca2+/Ca2+CaM dataset) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | | Deposit date: | 2019-02-23 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
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2J91
 | | Crystal structure of Human Adenylosuccinate Lyase in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, CHLORIDE ION, ... | | Authors: | Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P. | | Deposit date: | 2006-11-01 | | Release date: | 2006-11-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Human Adenylosuccinate Lyase
To be Published
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5V27
 | | 2.35 angstrom crystal structure of P97V 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | | Authors: | Dornevil, K, Liu, F, Liu, A. | | Deposit date: | 2017-03-02 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | 2.35 angstrom crystal structure of P97V 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published
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5V28
 | | 2.72 angstrom crystal structure of P97A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | | Authors: | Dornevil, K, Liu, F, Liu, A. | | Deposit date: | 2017-03-02 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.724 Å) | | Cite: | 2.72 angstrom crystal structure of P97A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published
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5V26
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5E93
 | | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0071 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, CACODYLATE ION, ... | | Authors: | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | | Deposit date: | 2015-10-14 | | Release date: | 2016-10-19 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.41 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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