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PDB: 334 件
6NNR
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high-resolution structure of wild-type E. coli thymidylate synthase
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Stroud, R.M, Finer-Moore, J.
登録日2019-01-15
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013
6OJV
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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-L-glutamic acid
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-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 (2.593 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
6OJU
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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
6PF4
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Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.854 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PF3
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Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, Thymidylate synthase
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6L18
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XFEL structure of T4dCH D179N mutant complex with natively expressed dTMP
分子名称: Deoxycytidylate 5-hydroxymethyltransferase, IODIDE ION, SODIUM ION, ...
著者Park, S.H, Song, H.K.
登録日2019-09-27
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A host dTMP-bound structure of T4 phage dCMP hydroxymethylase mutant using an X-ray free electron laser.
Sci Rep, 9, 2019
3GH0
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Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L.
登録日2009-03-02
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3GH2
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Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L.
登録日2009-03-02
公開日2010-03-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3GG5
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Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: PHOSPHATE ION, SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L.
登録日2009-02-27
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3H9K
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Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry
分子名称: 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
著者Gibson, L.M, Lovelace, L.L, Lebioda, L.
登録日2009-04-30
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding.
Acta Crystallogr.,Sect.D, 67, 2011
3IK1
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Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase
著者Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
登録日2009-08-05
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3IHI
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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
3HB8
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Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, PHOSPHATE ION, ...
著者Gibson, L.M, Lovelace, L.L, Lebioda, L.
登録日2009-05-04
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding.
Acta Crystallogr.,Sect.D, 67, 2011
6K7S
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Crystal structure of thymidylate synthase from shrimp
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
3IJZ
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Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
登録日2009-08-05
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3IK0
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Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase
著者Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
登録日2009-08-05
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
6K7Q
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Crystal structure of thymidylate synthase from shrimp
分子名称: SULFATE ION, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
6K7R
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BU of 6k7r by Molmil
Crystal structure of thymidylate synthase from shrimp
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
3IX6
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Crystal structure of Thymidylate synthase thyA from Brucella melitensis
分子名称: Thymidylate synthase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-03
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Thymidylate synthase thyA from Brucella melitensis
To be Published
3C0A
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Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 2
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S.
登録日2008-01-19
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3BNZ
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Crystal structure of Thymidylate Synthase ternary complex with dUMP and 8A inhibitor
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile, PHOSPHATE ION, ...
著者Leone, R, Cancian, L, Luciani, R, Ferrari, S, Costi, M.P, Mangani, S.
登録日2007-12-15
公開日2008-12-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3BYX
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Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 in Multiple Binding Modes
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S.
登録日2008-01-16
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3BZ0
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Lactobacillus Casei Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Cancian, L, Costi, M.P, Ferrari, S, Luciani, R, Mangani, S.
登録日2008-01-17
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3B9H
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E. coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE
分子名称: 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, PHOSPHATE ION, Thymidylate synthase
著者Roberts, S.A, Montfort, W.R.
登録日2007-11-05
公開日2008-11-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural Studies of Early Events in the Thymidylate Synthase Reaction
To be Published
3BFI
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E. Coli Thymidylate Synthase Y209M mutant complexed with 5-nitro-dUMP
分子名称: 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, SULFATE ION, Thymidylate synthase
著者Roberts, S.A, Montfort, W.R.
登録日2007-11-21
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献E.Coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE
To be Published

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