4XSC
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5BY6
| Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | 著者 | Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W. | 登録日 | 2015-06-10 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS. J. Mol. Graph. Model., 77, 2017
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5FCT
| Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate. | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase | 著者 | Dowiercial, A, Wilk, P, Jarmula, A, Rode, W. | 登録日 | 2015-12-15 | 公開日 | 2016-10-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme Struct Chem, 2016
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5HS3
| Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol, Thymidylate synthase | 著者 | Chen, D, Almqvist, H, Axelsson, H, Jafari, R, Mateus, A, Haraldsson, M, Larsson, A, Artursson, P, Molina, D.M, Lundback, T, Nordlund, P. | 登録日 | 2016-01-25 | 公開日 | 2016-02-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.103 Å) | 主引用文献 | CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil Nat Commun, 7, 2016
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5J7W
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5JNH
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5JP9
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5B6D
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5B6E
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5T0L
| Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15) | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine, ... | 著者 | Thomas, S.B, Chen, Z, Lu, H, Li, Y. | 登録日 | 2016-08-16 | 公開日 | 2016-09-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design. ACS Med Chem Lett, 7, 2016
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5T7O
| Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | 著者 | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | 登録日 | 2016-09-05 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE To Be Published
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5M4Z
| Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate | 分子名称: | GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | 著者 | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | 登録日 | 2016-10-19 | 公開日 | 2017-12-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.179 Å) | 主引用文献 | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies. Int J Mol Sci, 22, 2021
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5H38
| Structural analysis of KSHV thymidylate synthase | 分子名称: | ORF70, PHOSPHATE ION | 著者 | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | 登録日 | 2016-10-21 | 公開日 | 2017-01-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed. PLoS ONE, 11, 2016
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5H3A
| Structural analysis of KSHV thymidylate synthase | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70, TOMUDEX | 著者 | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | 登録日 | 2016-10-21 | 公開日 | 2017-01-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed. PLoS ONE, 11, 2016
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5H39
| Structural analysis of KSHV thymidylate synthase | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70 | 著者 | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | 登録日 | 2016-10-21 | 公開日 | 2017-01-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed. PLoS ONE, 11, 2016
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5WRN
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5X4Y
| Mutant human thymidylate synthase M190K crystallized in a sulfate-containing condition | 分子名称: | SULFATE ION, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-14 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X4X
| Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition | 分子名称: | SULFATE ION, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-14 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X4W
| Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition | 分子名称: | PHOSPHATE ION, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-14 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X5A
| Human thymidylate synthase bound with phosphate ion | 分子名称: | PHOSPHATE ION, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-15 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X5D
| Human thymidylate synthase bound with dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-15 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X5Q
| Human thymidylate synthase complexed with dUMP and raltitrexed | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-17 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X67
| Human thymidylate synthase in complex with dUMP and nolatrexed | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-21 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states. J. Biol. Chem., 292, 2017
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5X66
| Human thymidylate synthase in complex with dUMP and methotrexate | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-21 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X69
| Human thymidylate synthase with a fragment bound in the dimer interface | 分子名称: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-21 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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