4XSD
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![BU of 4xsd by Molmil](/molmil-images/mine/4xsd) | Complex structure of thymidylate synthase from varicella zoster virus with a dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Hew, K. | Deposit date: | 2015-01-22 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine. Plos One, 10, 2015
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5BY6
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![BU of 5by6 by Molmil](/molmil-images/mine/5by6) | Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W. | Deposit date: | 2015-06-10 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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![BU of 5fct by Molmil](/molmil-images/mine/5fct) | Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate. | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase | Authors: | Dowiercial, A, Wilk, P, Jarmula, A, Rode, W. | Deposit date: | 2015-12-15 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme Struct Chem, 2016
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5HS3
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![BU of 5hs3 by Molmil](/molmil-images/mine/5hs3) | Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol, Thymidylate synthase | Authors: | Chen, D, Almqvist, H, Axelsson, H, Jafari, R, Mateus, A, Haraldsson, M, Larsson, A, Artursson, P, Molina, D.M, Lundback, T, Nordlund, P. | Deposit date: | 2016-01-25 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.103 Å) | Cite: | 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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![BU of 5j7w by Molmil](/molmil-images/mine/5j7w) | |
5JNH
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![BU of 5jnh by Molmil](/molmil-images/mine/5jnh) | |
5JP9
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![BU of 5jp9 by Molmil](/molmil-images/mine/5jp9) | |
5B6D
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![BU of 5b6d by Molmil](/molmil-images/mine/5b6d) | |
5B6E
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![BU of 5b6e by Molmil](/molmil-images/mine/5b6e) | |
5T0L
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![BU of 5t0l by Molmil](/molmil-images/mine/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) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine, ... | Authors: | Thomas, S.B, Chen, Z, Lu, H, Li, Y. | Deposit date: | 2016-08-16 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | 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
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![BU of 5t7o by Molmil](/molmil-images/mine/5t7o) | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | Authors: | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | Deposit date: | 2016-09-05 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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![BU of 5m4z by Molmil](/molmil-images/mine/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 | Descriptor: | 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 | Authors: | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | Deposit date: | 2016-10-19 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.179 Å) | Cite: | 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
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![BU of 5h38 by Molmil](/molmil-images/mine/5h38) | Structural analysis of KSHV thymidylate synthase | Descriptor: | ORF70, PHOSPHATE ION | Authors: | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | Deposit date: | 2016-10-21 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
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![BU of 5h3a by Molmil](/molmil-images/mine/5h3a) | Structural analysis of KSHV thymidylate synthase | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70, TOMUDEX | Authors: | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | Deposit date: | 2016-10-21 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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![BU of 5h39 by Molmil](/molmil-images/mine/5h39) | Structural analysis of KSHV thymidylate synthase | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70 | Authors: | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | Deposit date: | 2016-10-21 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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![BU of 5wrn by Molmil](/molmil-images/mine/5wrn) | |
5X4Y
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![BU of 5x4y by Molmil](/molmil-images/mine/5x4y) | Mutant human thymidylate synthase M190K crystallized in a sulfate-containing condition | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
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![BU of 5x4x by Molmil](/molmil-images/mine/5x4x) | Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 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
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![BU of 5x4w by Molmil](/molmil-images/mine/5x4w) | Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition | Descriptor: | PHOSPHATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
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![BU of 5x5a by Molmil](/molmil-images/mine/5x5a) | Human thymidylate synthase bound with phosphate ion | Descriptor: | PHOSPHATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-15 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | 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
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![BU of 5x5d by Molmil](/molmil-images/mine/5x5d) | Human thymidylate synthase bound with dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-15 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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![BU of 5x5q by Molmil](/molmil-images/mine/5x5q) | Human thymidylate synthase complexed with dUMP and raltitrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-17 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | 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
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![BU of 5x67 by Molmil](/molmil-images/mine/5x67) | Human thymidylate synthase in complex with dUMP and nolatrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | 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
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![BU of 5x69 by Molmil](/molmil-images/mine/5x69) | Human thymidylate synthase with a fragment bound in the dimer interface | Descriptor: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | 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
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![BU of 5x66 by Molmil](/molmil-images/mine/5x66) | Human thymidylate synthase in complex with dUMP and methotrexate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | 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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