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PDB: 19 件
5NOO
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Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
著者Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W.
登録日2017-04-12
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 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
5M4Z
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BU of 5m4z by Molmil
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
6F6Z
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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
5FCT
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BU of 5fct by Molmil
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
6Y08
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BU of 6y08 by Molmil
Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Sulfamethoxazole, Thymidylate synthase
著者Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W.
登録日2020-02-06
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole
To Be Published
3IHI
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BU of 3ihi by Molmil
Crystal structure of mouse thymidylate synthase
分子名称: SULFATE ION, Thymidylate synthase
著者Dowiercial, A, Jarmula, A, Rypniewski, W.R, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W.
登録日2009-07-30
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
5BY6
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BU of 5by6 by Molmil
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
4E5O
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BU of 4e5o by Molmil
Crystal structure of mouse thymidylate synthase in complex with dUMP
分子名称: 1,4-BUTANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
著者Dowiercial, A, Jarmula, A, Rypniewski, W, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W.
登録日2012-03-14
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
4IRR
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BU of 4irr by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Thymidylate synthase
著者Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
登録日2013-01-15
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
To be Published
4IQB
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BU of 4iqb by Molmil
High Resolution Crystal Structure of C.elegans Thymidylate Synthase
分子名称: SULFATE ION, Thymidylate synthase
著者Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
登録日2013-01-11
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.13 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
4ISW
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BU of 4isw by Molmil
Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
著者Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
登録日2013-01-17
公開日2013-12-11
最終更新日2014-01-15
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer.
Bioorg.Chem., 52C, 2013
6GKO
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BU of 6gko by Molmil
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
6GYJ
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BU of 6gyj by Molmil
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
1RTS
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BU of 1rts by Molmil
THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
著者Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R.
登録日1998-06-19
公開日1999-02-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
4EZ8
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BU of 4ez8 by Molmil
Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate
分子名称: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ...
著者Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W.
登録日2012-05-02
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
Pteridines, 2013
4PSG
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BU of 4psg by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP
分子名称: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase
著者Wilk, P, Jarmula, A, Rode, W.
登録日2014-03-07
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP
To be Published
4EB4
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BU of 4eb4 by Molmil
Crystal structure of mouse thymidylate synthase in ternary complex with dUMP and Tomudex
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Rode, W.
登録日2012-03-23
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of mouse thymidylate synthase in tertiary complex with dUMP and raltitrexed reveals N-terminus architecture and two different active site conformations.
Biomed Res Int, 2014, 2014
2TSR
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BU of 2tsr by Molmil
THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
著者Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R.
登録日1998-06-19
公開日1999-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
4EIN
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BU of 4ein by Molmil
Crystal structure of mouse thymidylate synthase in binary complex with a substrate analogue and strong inhibitor, N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate
分子名称: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, Thymidylate synthase
著者Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Kierdaszuk, B, Rode, W.
登録日2012-04-05
公開日2013-04-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
PTERIDINES, 2013

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