3V8H
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3TMS
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6F6Z
| Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate | Descriptor: | (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase | Authors: | Wilk, P, Jarmula, A, Maj, P, Rode, W. | Deposit date: | 2017-12-06 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N4-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies Int J Mol Sci, 22, 2021
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6GKO
| Mouse thymidylate synthase cocrystallized with dUMP and soaked in phenolphthalein | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, ... | Authors: | Maj, P, Wilk, P, Jarmula, A, Weiss, M.S, Rode, W. | Deposit date: | 2018-05-21 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | Thymidylate synthase fragment screening To Be Published
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3UWL
| Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with 5-formyl tetrahydrofolate | Descriptor: | 1,2-ETHANEDIOL, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | Authors: | Pozzi, C, Catalano, A, Cortesi, D, Luciani, R, Ferrari, S, Fritz, T, Costi, M.P, Mangani, S. | Deposit date: | 2011-12-02 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The structure of Enterococcus faecalis thymidylate synthase provides clues about folate bacterial metabolism. Acta Crystallogr.,Sect.D, 68, 2012
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5B6D
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6GYJ
| Mouse thymidylate synthase crystal soaked in phenolphthalein | Descriptor: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | Deposit date: | 2018-06-30 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thymidylate synthase fragment screening To be published
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5B6E
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3QJ7
| Crystal Structure of the Mycobacterium tuberculosis Thymidylate synthase (ThyA) bound to dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SPERMINE, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-01-28 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition To be Published
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4O1X
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4O7U
| Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7 | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ... | Authors: | Mangani, S, Pozzi, C. | Deposit date: | 2013-12-26 | Release date: | 2014-12-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors. Eur.J.Med.Chem., 123, 2016
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4PSG
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1YPV
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4O1U
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3OB7
| Human Thymidylate Synthase R163K with Cys 195 covalently modified by Glutathione | Descriptor: | GLUTATHIONE, PHOSPHATE ION, Thymidylate synthase | Authors: | Gibson, L.M, Celeste, L.R, Lovelace, L.L, Lebioda, L. | Deposit date: | 2010-08-06 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding. Acta Crystallogr.,Sect.D, 67, 2011
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3N5E
| Crystal Structure of human thymidylate synthase bound to a peptide inhibitor | Descriptor: | SULFATE ION, Synthetic peptide LR, Thymidylate synthase | Authors: | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | Deposit date: | 2010-05-25 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3N5G
| Crystal Structure of histidine-tagged human thymidylate synthase | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | Deposit date: | 2010-05-25 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase. Proc.Natl.Acad.Sci.USA, 108, 2011
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2AAZ
| Cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | Deposit date: | 2005-07-14 | Release date: | 2005-12-06 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. Acta Crystallogr.,Sect.D, 61, 2005
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2A9W
| E. coli TS complexed with dUMP and inhibitor GA9 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ... | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | Deposit date: | 2005-07-12 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. Acta Crystallogr.,Sect.D, 61, 2005
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1ZPR
| E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Sage, C.R, Stout, T.J, Rutenber, E.E, Stroud, R.M. | Deposit date: | 1996-10-15 | Release date: | 1997-07-07 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q. Biochemistry, 35, 1996
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1VZB
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1F4F
| CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-722 | Descriptor: | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE, SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | Deposit date: | 2000-06-07 | Release date: | 2000-06-22 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Site-directed ligand discovery. Proc.Natl.Acad.Sci.USA, 97, 2000
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1VZA
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1VZD
| L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q TERNARY COMPLEX WITH FDUMP AND CB3717 | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Birdsall, D.L, Finer-Moore, J, Stroud, R.M. | Deposit date: | 1996-09-18 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis. Protein Eng., 11, 1998
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1VZC
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