4UP1
 
 | |
3V8H
 | |
6ZXO
 | |
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
|
|
6OJU
 | | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid, Thymidylate synthase,Thymidylate synthase | | 著者 | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | | 登録日 | 2019-04-12 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.884 Å) | | 主引用文献 | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
|
|
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
|
|
7TA9
 | |
2ONB
 | | Human Thymidylate Synthase at low salt conditions with PDPA bound | | 分子名称: | 1,2-ETHANEDIOL, PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID), SULFATE ION, ... | | 著者 | Lovelace, L.L, Gibson, L.M, Lebioda, L. | | 登録日 | 2007-01-23 | | 公開日 | 2007-04-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Cooperative Inhibition of Human Thymidylate Synthase by Mixtures of Active Site Binding and Allosteric Inhibitors
Biochemistry, 46, 2007
|
|
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
|
|
4PSG
 | |
2RD8
 | |
4H0U
 | |
4GYH
 | |
7XYJ
 | |
7XYK
 | |
7JX1
 | | E. coli TSase complex with a bi-substrate reaction intermediate analog | | 分子名称: | (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid, PHOSPHATE ION, ... | | 著者 | Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A. | | 登録日 | 2020-08-26 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
|
|
7JXF
 | | E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog | | 分子名称: | (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid, ... | | 著者 | Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K. | | 登録日 | 2020-08-27 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
|
|
2TSR
 | | 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
|
|
5NOO
 | | 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
|
|
6Y08
 | | 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
|
|
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
|
|
4TMS
 | |
4XSE
 | | Complex structure of thymidylate synthase from varicella zoster virus | | 分子名称: | PHOSPHATE ION, Thymidylate synthase | | 著者 | Hew, K. | | 登録日 | 2015-01-22 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | 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
|
|
4XSD
 | |
5B6E
 | |
