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6CDZ
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BU of 6cdz by Molmil
E. coli thymidylate synthase mutant I264Am
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, ...
Authors:Finer-moore, J.S, Lee, T.T, Stroud, R.M.
Deposit date:2018-02-09
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Single Mutation Traps a Half-Sites Reactive Enzyme in Midstream, Explaining Asymmetry in Hydride Transfer.
Biochemistry, 57, 2018
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
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
5BY6
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BU of 5by6 by Molmil
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
5FCT
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BU of 5fct by Molmil
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
3KGB
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BU of 3kgb by Molmil
Crystal structure of thymidylate synthase 1/2 from Encephalitozoon cuniculi at 2.2 A resolution
Descriptor: CHLORIDE ION, Thymidylate synthase 1/2
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-28
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of thymidylate synthase 1/2 from Encephalitozoon cuniculi at 2.2 A resolution
TO BE PUBLISHED
6F6Z
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BU of 6f6z by Molmil
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
2KCE
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BU of 2kce by Molmil
BINDING OF THE ANTICANCER DRUG ZD1694 TO E. COLI THYMIDYLATE SYNTHASE: ASSESSING SPECIFICITY AND AFFINITY
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
Authors:Rutenber, E.E, Stroud, R.M.
Deposit date:1997-06-09
Release date:1997-11-19
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of the anticancer drug ZD1694 to E. coli thymidylate synthase: assessing specificity and affinity.
Structure, 4, 1996
5NOO
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BU of 5noo by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W.
Deposit date:2017-04-12
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 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
7TA9
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BU of 7ta9 by Molmil
Crystal Structure of thymidylate synthase from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of thymidylate synthase from Acinetobacter baumannii
to be published
5JP9
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BU of 5jp9 by Molmil
Crystal Structure of cytidine monophosphate hydroxymethylase MilA with dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CMP 5-hydroxymethylase
Authors:Zhao, G, He, X.
Deposit date:2016-05-03
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural basis of the substrate preference towards CMP for a thymidylate synthase MilA involved in mildiomycin biosynthesis
Sci Rep, 6, 2016
2ONB
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BU of 2onb by Molmil
Human Thymidylate Synthase at low salt conditions with PDPA bound
Descriptor: 1,2-ETHANEDIOL, PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID), SULFATE ION, ...
Authors:Lovelace, L.L, Gibson, L.M, Lebioda, L.
Deposit date:2007-01-23
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cooperative Inhibition of Human Thymidylate Synthase by Mixtures of Active Site Binding and Allosteric Inhibitors
Biochemistry, 46, 2007
2BBQ
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BU of 2bbq by Molmil
STRUCTURAL BASIS FOR RECOGNITION OF POLYGLUTAMYL FOLATES BY THYMIDYLATE SYNTHASE
Descriptor: 10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Kamb, A, Finer-Moore, J, Stroud, R.M.
Deposit date:1992-09-16
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for recognition of polyglutamyl folates by thymidylate synthase.
Biochemistry, 31, 1992
1QQQ
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BU of 1qqq by Molmil
CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
Descriptor: SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T.
Deposit date:1999-06-07
Release date:1999-06-14
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
6Y08
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BU of 6y08 by Molmil
Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Sulfamethoxazole, Thymidylate synthase
Authors:Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W.
Deposit date:2020-02-06
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole
To Be Published
6GKO
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BU of 6gko by Molmil
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
5B6D
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BU of 5b6d by Molmil
Crystal Structure of cytidine monophosphate hydroxymethylase MilA with CMP
Descriptor: CMP 5-hydroxymethylase, CYTIDINE-5'-MONOPHOSPHATE
Authors:Gong, Z, Wu, G, He, X.
Deposit date:2016-05-26
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of the substrate preference towards CMP for a thymidylate synthase MilA involved in mildiomycin biosynthesis
Sci Rep, 6, 2016
6GYJ
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BU of 6gyj by Molmil
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
6ZXO
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BU of 6zxo by Molmil
Crystal structure of His-tagged human thymidylate synthase (HT-hTS) in complex with FdUMP and Raltitrexed (Tomudex)
Descriptor: 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TOMUDEX, ...
Authors:Pozzi, C, Mangani, S.
Deposit date:2020-07-30
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Bases for the Synergistic Inhibition of Human Thymidylate Synthase and Ovarian Cancer Cell Growth by Drug Combinations.
Cancers (Basel), 13, 2021
4TMS
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BU of 4tms by Molmil
PLASTIC ADAPTATION TOWARD MUTATIONS IN PROTEINS: STRUCTURAL COMPARISON OF THYMIDYLATE SYNTHASES
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.
Deposit date:1992-01-07
Release date:1992-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Plastic adaptation toward mutations in proteins: structural comparison of thymidylate synthases.
Proteins, 8, 1990
7XYK
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BU of 7xyk by Molmil
Structure of WSSV thymidylate synthase in complex with dUMP and raltitrexed
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SULFATE ION, TOMUDEX, ...
Authors:Ma, Q, Liu, C, Zang, K.
Deposit date:2022-06-01
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Structure of WSSV thymidylate synthase in complex with dUMP and raltitrexed
To Be Published
7XYJ
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BU of 7xyj by Molmil
Structure of WSSV thymidylate synthase in complex with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, ...
Authors:Ma, Q, Liu, C, Zang, K.
Deposit date:2022-06-01
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.275 Å)
Cite:Structure of WSSV thymidylate synthase in complex with dUMP
To Be Published
5B6E
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BU of 5b6e by Molmil
Crystal Structure of cytidine monophosphate hydroxymethylase MilA with hmCMP
Descriptor: 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate), CMP 5-hydroxymethylase
Authors:Gong, Z, Wu, G, He, X.
Deposit date:2016-05-26
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the substrate preference towards CMP for a thymidylate synthase MilA involved in mildiomycin biosynthesis
Sci Rep, 6, 2016
4UP1
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BU of 4up1 by Molmil
Crystal structure of native human Thymidylate synthase in active form
Descriptor: SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Deschamps, P, Rety, S, Leulliot, N.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.991 Å)
Cite:Crystal structure of the active form of native human thymidylate synthase in the absence of bound substrates.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4XSE
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BU of 4xse by Molmil
Complex structure of thymidylate synthase from varicella zoster virus
Descriptor: PHOSPHATE ION, Thymidylate synthase
Authors:Hew, K.
Deposit date:2015-01-22
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 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
5WRN
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BU of 5wrn by Molmil
Human thymidylate synthase complexed with dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Nordlund, P.
Deposit date:2016-12-02
Release date:2016-12-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Human thymidylate synthase complexed with dCMP
To Be Published

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数据于2024-09-18公开中

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