3V8H
 
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3TMS
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6F6Z
 | | Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate | | 分子名称: | (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 | | 著者 | Wilk, P, Jarmula, A, Maj, P, Rode, W. | | 登録日 | 2017-12-06 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.127 Å) | | 主引用文献 | 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 | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, ... | | 著者 | Maj, P, Wilk, P, Jarmula, A, Weiss, M.S, Rode, W. | | 登録日 | 2018-05-21 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Pozzi, C, Catalano, A, Cortesi, D, Luciani, R, Ferrari, S, Fritz, T, Costi, M.P, Mangani, S. | | 登録日 | 2011-12-02 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | 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 | | 分子名称: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... | | 著者 | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | | 登録日 | 2018-06-30 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | 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 | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SPERMINE, Thymidylate synthase | | 著者 | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2011-01-28 | | 公開日 | 2011-06-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.504 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Mangani, S, Pozzi, C. | | 登録日 | 2013-12-26 | | 公開日 | 2014-12-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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 | | 分子名称: | GLUTATHIONE, PHOSPHATE ION, Thymidylate synthase | | 著者 | Gibson, L.M, Celeste, L.R, Lovelace, L.L, Lebioda, L. | | 登録日 | 2010-08-06 | | 公開日 | 2010-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | 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 | | 分子名称: | SULFATE ION, Synthetic peptide LR, Thymidylate synthase | | 著者 | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | | 登録日 | 2010-05-25 | | 公開日 | 2011-06-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | 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 | | 分子名称: | SULFATE ION, Thymidylate synthase | | 著者 | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | | 登録日 | 2010-05-25 | | 公開日 | 2011-06-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | 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 | | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | 著者 | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | | 登録日 | 2005-07-14 | | 公開日 | 2005-12-06 | | 最終更新日 | 2018-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | 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 | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ... | | 著者 | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | | 登録日 | 2005-07-12 | | 公開日 | 2005-10-11 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | 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) | | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | 著者 | Sage, C.R, Stout, T.J, Rutenber, E.E, Stroud, R.M. | | 登録日 | 1996-10-15 | | 公開日 | 1997-07-07 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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 | | 分子名称: | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE, SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | | 登録日 | 2000-06-07 | | 公開日 | 2000-06-22 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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 | | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | 著者 | Birdsall, D.L, Finer-Moore, J, Stroud, R.M. | | 登録日 | 1996-09-18 | | 公開日 | 1997-03-12 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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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