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6NNR
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BU of 6nnr by Molmil
high-resolution structure of wild-type E. coli thymidylate synthase
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Stroud, R.M, Finer-Moore, J.
Deposit date:2019-01-15
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013
4IQB
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BU of 4iqb by Molmil
High Resolution Crystal Structure of C.elegans Thymidylate Synthase
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
Deposit date:2013-01-11
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.13 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
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
Descriptor: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ...
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W.
Deposit date:2012-05-02
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
Pteridines, 2013
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
4GEV
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BU of 4gev by Molmil
E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase
Authors:Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M.
Deposit date:2012-08-02
Release date:2012-08-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012
3BHL
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BU of 3bhl by Molmil
E.coli thymidylate synthase complexes with 5-NO2dUMP and tetrahydrofolate at 1.4 A resolution
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2007-11-28
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Studies of Early Events in Catalysis by Thymidylate Synthase
To be Published
7XYK
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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
1QQQ
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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
7TA9
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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
7DP4
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Crystal structure of wild type Brugia malayi thymidylate synthase complexed with 2'-deoxyuridine monophosphate and methotrexate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, METHOTREXATE, ...
Authors:Keyunratsami, K, Nualnoi, T, Wongkamchai, S, Songsiriritthigul, C, Chen, C.-J, Canyuk, B.
Deposit date:2020-12-18
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic investigation and inhibition of Brugia malayi thymidylate synthase by a folate analog
To Be Published
7JXF
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E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog
Descriptor: (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, ...
Authors:Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K.
Deposit date:2020-08-27
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
6K7R
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BU of 6k7r by Molmil
Crystal structure of thymidylate synthase from shrimp
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Ma, Q, Zang, K, Liu, C.
Deposit date:2019-06-08
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
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
3ED7
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BU of 3ed7 by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
Deposit date:2008-09-02
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3GH0
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BU of 3gh0 by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L.
Deposit date:2009-03-02
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
6K7S
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BU of 6k7s by Molmil
Crystal structure of thymidylate synthase from shrimp
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Ma, Q, Zang, K, Liu, C.
Deposit date:2019-06-08
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
1B5E
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BU of 1b5e by Molmil
DCMP HYDROXYMETHYLASE FROM T4
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, PROTEIN (DEOXYCYTIDYLATE HYDROXYMETHYLASE)
Authors:Song, H.K, Sohn, S.H, Suh, S.W.
Deposit date:1999-01-06
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of deoxycytidylate hydroxymethylase from bacteriophage T4, a component of the deoxyribonucleoside triphosphate-synthesizing complex.
EMBO J., 18, 1999
2FTN
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BU of 2ftn by Molmil
E. coli thymidylate synthase Y94F mutant
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Montfort, W.R, Roberts, S.A.
Deposit date:2006-01-24
Release date:2006-05-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Y94F mutant of Escherichia coli thymidylate synthase.
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
7DP5
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BU of 7dp5 by Molmil
Crystal structure of mutant V45A Brugia malayi thymidylate synthase complexed with 2'-deoxyuridine monophosphate and methotrexate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Keyunratsami, K, Nualnoi, T, Wongkamchai, S, Songsiriritthigul, C, Chen, C.-J, Canyuk, B.
Deposit date:2020-12-18
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic investigation and inhibition of Brugia malayi thymidylate synthase by a folate analog
To Be Published
2A9W
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BU of 2a9w by Molmil
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
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
3V8H
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BU of 3v8h by Molmil
Crystal structure of Thymidylate Synthase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Thymidylate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-22
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
5H38
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BU of 5h38 by Molmil
Structural analysis of KSHV thymidylate synthase
Descriptor: ORF70, PHOSPHATE ION
Authors:Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y.
Deposit date:2016-10-21
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
1BKP
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BU of 1bkp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1AXW
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BU of 1axw by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-10-23
Release date:1998-10-28
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published

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