PDB: 5653 件ウェブページステータス検索Chemie searchBIRD

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5MVD	Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds 分子名称: 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... 著者 Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. 登録日 2017-01-16 公開日 2017-03-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 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
6PV6	Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots 分子名称: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... 著者 Dashti, A, des Georges, A, Frank, J, Ourmazd, A. 登録日 2019-07-19 公開日 2020-08-12 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 Retrieving functional pathways of biomolecules from single-particle snapshots. Nat Commun, 11, 2020
5MVC	Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds 分子名称: 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide, ACETATE ION, CHLORIDE ION, ... 著者 Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. 登録日 2017-01-16 公開日 2017-03-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 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
5NXA	Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL)in complex with its products AICAR and fumarate 分子名称: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Adenylosuccinate lyase, CHLORIDE ION, ... 著者 Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. 登録日 2017-05-09 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
8K4F	DHODH in complex with compound A0 分子名称: 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, ... 著者 Jian, L, Sun, Q. 登録日 2023-07-18 公開日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
5NX8	Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL) 分子名称: Adenylosuccinate lyase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. 登録日 2017-05-09 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
6G74	Structure of the Y21F variant of quinolinate synthase in complex with phthalate 分子名称: IRON/SULFUR CLUSTER, PHTHALIC ACID, Quinolinate synthase A 著者 Volbeda, A, Fontecilla-Camps, J.C. 登録日 2018-04-04 公開日 2018-04-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA. ACS Chem. Biol., 13, 2018
1XJW	The Structure of E. coli Aspartate Transcarbamoylase Q137A Mutant in The R-State 分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ... 著者 Stieglitz, K.A, Alam, N, Xia, J, Gourinath, S, Tsuruta, H, Kantrowitz, E.R. 登録日 2004-09-25 公開日 2005-05-24 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 A Single Amino Acid Substitution in the Active Site of Escherichia coli Aspartate Transcarbamoylase Prevents the Allosteric Transition. J.Mol.Biol., 349, 2005
5NX9	Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL) in complex with its products AMP and fumarate 分子名称: 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... 著者 Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. 登録日 2017-05-09 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
1ZA2	Structure of wild-type E. coli Aspartate Transcarbamoylase in the presence of CTP, carbamoyl phosphate at 2.50 A resolution 分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... 著者 Wang, J, Stieglitz, K.A, Cardia, J.P, Kantrowitz, E.R. 登録日 2005-04-05 公開日 2005-06-07 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis for ordered substrate binding and cooperativity in aspartate transcarbamoylase Proc.Natl.Acad.Sci.Usa, 102, 2005
2A0F	Structure of D236A mutant E. coli Aspartate Transcarbamoylase in presence of Phosphonoacetamide at 2.90 A resolution 分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, PHOSPHONOACETAMIDE, ... 著者 Stieglitz, K.A, Dusinberre, K.J, Cardia, J.P, Tsuruta, H, Kantrowitz, E.R. 登録日 2005-06-16 公開日 2005-09-27 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structure of the E.coli Aspartate Transcarbamoylase Trapped in the Middle of the Catalytic Cycle. J.Mol.Biol., 352, 2005
1YIS	Structural genomics of Caenorhabditis elegans: adenylosuccinate lyase 分子名称: SULFATE ION, adenylosuccinate lyase 著者 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) 登録日 2005-01-12 公開日 2005-01-25 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural genomics of Caenorhabditis elegans: adenylosuccinate lyase To be Published
2AQW	Structure of putative orotidine-monophosphate-decarboxylase from Plasmodium yoelii (PY01515) 分子名称: IODIDE ION, SULFATE ION, putative orotidine-monophosphate-decarboxylase 著者 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) 登録日 2005-08-18 公開日 2005-08-30 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
5EA9	Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130 分子名称: 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ... 著者 Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. 登録日 2015-10-15 公開日 2016-10-19 最終更新日 2020-02-19 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity To be Published
4HKP	Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N3-oxide 分子名称: 5-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ... 著者 To, T.K, Kotra, L.P, Pai, E.F. 登録日 2012-10-15 公開日 2012-11-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist. J.Med.Chem., 55, 2012
7AM9	OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution 分子名称: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... 著者 Tittmann, K, Rindfleisch, S, Krull, M. 登録日 2020-10-08 公開日 2021-11-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
6F48	Structure of quinolinate synthase with reaction intermediates X and Y 分子名称: 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid, 5-hydroxy,-4,5-dihydroquinolinate, CHLORIDE ION, ... 著者 Volbeda, A, Fontecilla-Camps, J.C. 登録日 2017-11-29 公開日 2018-04-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA. ACS Chem. Biol., 13, 2018
6JKR	Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP) 分子名称: Aspartate carbamoyltransferase, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER 著者 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. 登録日 2019-03-01 公開日 2020-03-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism To Be Published
6JME	Crystal structure of human DHODH in complex with inhibitor 0946 分子名称: 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... 著者 Yu, Y, Chen, Q. 登録日 2019-03-08 公開日 2020-03-18 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 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
6JL4	Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl aspartate (CA) and phosphate (Pi) 分子名称: ASPARTIC ACID, Aspartate carbamoyltransferase, N-CARBAMOYL-L-ASPARTATE, ... 著者 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. 登録日 2019-03-04 公開日 2020-03-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism To Be Published
6JKS	Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP) and aspartate (Asp) 分子名称: ASPARTIC ACID, Aspartate carbamoyltransferase, putative, ... 著者 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. 登録日 2019-03-01 公開日 2020-03-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism To Be Published
6JL5	Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with aspartate (Asp) and phosphate (Pi). 分子名称: ASPARTIC ACID, Aspartate carbamoyltransferase, GLYCEROL, ... 著者 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. 登録日 2019-03-04 公開日 2020-03-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism To Be Published
6F4D	Structure of the Y21F variant of quinolinate synthase in complex with PGH 分子名称: CHLORIDE ION, IRON/SULFUR CLUSTER, PHOSPHATE ION, ... 著者 Volbeda, A, Fontecilla-Camps, J.C. 登録日 2017-11-29 公開日 2018-04-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA. ACS Chem. Biol., 13, 2018
4JGD	Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 分子名称: 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... 著者 Zhu, L, Zhu, J, Ren, X, Li, H. 登録日 2013-03-01 公開日 2014-03-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 TO BE PUBLISHED
4JTT	Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 066 分子名称: 2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... 著者 Zhu, L, Li, H, Zhu, J, Ren, X. 登録日 2013-03-24 公開日 2014-03-26 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 TO BE PUBLISHED

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