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1JU6
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Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ...
著者Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
登録日2001-08-23
公開日2001-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
1JUJ
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Human Thymidylate Synthase Bound to dUMP and LY231514, a Pyrrolo(2,3-d)pyrimidine-based Antifolate
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE
著者Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
登録日2001-08-24
公開日2001-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
1JUT
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E. coli Thymidylate Synthase Bound to dUMP and LY338529, A Pyrrolo(2,3-d)pyrimidine-based Antifolate
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID, THYMIDYLATE SYNTHASE
著者Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
登録日2001-08-27
公開日2001-09-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
1KZI
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Crystal Structure of EcTS/dUMP/THF Complex
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ...
著者Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M.
登録日2002-02-06
公開日2002-07-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access.
Biochemistry, 41, 2002
1KZJ
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Crystal Structure of EcTS W80G/dUMP/CB3717 Complex
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
著者Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M.
登録日2002-02-06
公開日2002-07-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access.
Biochemistry, 41, 2002
1NCE
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Crystal structure of a ternary complex of E. coli thymidylate synthase D169C with dUMP and the antifolate CB3717
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
著者Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
登録日2002-12-05
公開日2002-12-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The only active mutant of thymidylate synthase D169, a residue far from the site of methyl transfer, demonstrates the exquisite nature of enzyme specificity.
Protein Eng., 16, 2003
1J3I
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Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y.
登録日2003-02-03
公開日2003-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
1J3K
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Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y.
登録日2003-02-03
公開日2003-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
1J3J
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Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, NADPH, and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y.
登録日2003-02-03
公開日2003-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
1QZF
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Crystal structure of DHFR-TS from Cryptosporidium hominis
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FOLIC ACID, ...
著者O'Neil, R.H, Lilien, R.H, Donald, B.R, Stroud, R.M, Anderson, A.C.
登録日2003-09-16
公開日2003-11-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Phylogenetic classification of protozoa based on the structure of the linker domain in the bifunctional enzyme, dihydrofolate reductase-thymidylate synthase
J.Biol.Chem., 278, 2003
1SEJ
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Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, ...
著者Anderson, A.C.
登録日2004-02-17
公開日2004-05-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistance.
Acta Crystallogr.,Sect.F, 61, 2005
1YPV
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Structure of human thymidylate synthase at low salt conditions
分子名称: PHOSPHATE ION, Thymidylate synthase
著者Lovelace, L.L, Minor, W, Lebioda, L.
登録日2005-01-31
公開日2005-04-26
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human thymidylate synthase under low-salt conditions.
Acta Crystallogr.,Sect.D, 61, 2005
2A9W
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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
2AAZ
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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
2FTO
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Y94F mutant of thymidylate synthase bound to thymidine-5'-phosphate and 10-propargyl-5,8-dideazafolid acid
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, PHOSPHATE ION, THYMIDINE-5'-PHOSPHATE, ...
著者Roberts, S.A, Montfort, W.R.
登録日2006-01-24
公開日2006-05-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Y94F mutant of Escherichia coli thymidylate synthase.
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
2FTN
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E. coli thymidylate synthase Y94F mutant
分子名称: SULFATE ION, Thymidylate synthase
著者Montfort, W.R, Roberts, S.A.
登録日2006-01-24
公開日2006-05-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the Y94F mutant of Escherichia coli thymidylate synthase.
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
2FTQ
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E. coli thymidylate synthase at 1.8 A resolution
分子名称: PHOSPHATE ION, SULFATE ION, Thymidylate synthase
著者Montfort, W.R, Roberts, S.A.
登録日2006-01-24
公開日2006-05-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Subtle Conformational Differences between Escherichia coli Thymidylate Synthase and Specific Mutants of this Enzyme
To be Published
2G86
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L. casei thymidylate synthase Y261F in complex with substrate, dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
著者Finer-Moore, J.S, Stroud, R.M.
登録日2006-03-01
公開日2006-03-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G8A
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Lactobacillus casei Y261M in complex with substrate, dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
著者Finer-Moore, J.S, Stroud, R.M.
登録日2006-03-02
公開日2006-03-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G8D
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Lactobacillus casei thymidylate synthase Y261W-dUMP complex
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
著者Finer-Moore, J.S, Stroud, R.M.
登録日2006-03-02
公開日2006-03-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G89
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L. casei thymidylate synthase Y261A in complex with substrate, dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
著者Finer-Moore, J.S, Stroud, R.M.
登録日2006-03-02
公開日2006-03-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G8X
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Escherichia coli Y209W apoprotein
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CARBONATE ION, PHOSPHATE ION, ...
著者Lee, T.T, Finer-Moore, J.S, Stroud, R.M.
登録日2006-03-03
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The role of protein dynamics in thymidylate synthase catalysis: Variants of conserved dUMP-binding Tyr-261
TO BE PUBLISHED
2H2Q
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Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate synthase
分子名称: 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Senkovich, O, Schormann, N, Chattopadhyay, D.
登録日2006-05-19
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
2ONB
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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
2RDA
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Human Thymidylate Synthase Stabilized in Active Conformation by R163K Mutation: Asymmetry and Reactivity of Cys195
分子名称: BETA-MERCAPTOETHANOL, PHOSPHATE ION, Thymidylate synthase
著者Gibson, L.M, Lovelace, L.L, Lebioda, L.
登録日2007-09-21
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献The R163K mutant of human thymidylate synthase is stabilized in an active conformation: structural asymmetry and reactivity of cysteine 195.
Biochemistry, 47, 2008

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