2RD8
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3B5B
| Crystal structure of the thymidylate synthase k48q | 分子名称: | 2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE), 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, FORMIC ACID, ... | 著者 | Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R. | 登録日 | 2007-10-25 | 公開日 | 2007-12-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Role of an invariant lysine residue in folate binding on Escherichia coli thymidylate synthase: Calorimetric and crystallographic analysis of the K48Q mutant. Int.J.Biochem.Cell Biol., 40, 2008
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2VET
| CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH DUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R. | 登録日 | 2007-10-26 | 公開日 | 2007-12-04 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant. Int.J.Biochem.Cell Biol., 40, 2008
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2VF0
| CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH 5NO2DUMP AND BW1843U89 | 分子名称: | 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, SULFATE ION, ... | 著者 | Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R. | 登録日 | 2007-10-27 | 公開日 | 2007-12-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant. Int.J.Biochem.Cell Biol., 40, 2008
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3B9H
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3BFI
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3BGX
| E. coli Thymidylate Synthase C146S mutant complexed with dTMP and MTF | 分子名称: | N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, SULFATE ION, THYMIDINE-5'-PHOSPHATE, ... | 著者 | Roberts, S.A, Montfort, W.R. | 登録日 | 2007-11-27 | 公開日 | 2008-12-09 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structural Studies of Early Events in Catalysis by Thymidylate Synthase To be Published
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3BHR
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3BHL
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3BNZ
| 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
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3BYX
| 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
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3BZ0
| 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
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3C06
| Lactobacillus CASEI Thymidylate Synthase Ternary Complex With DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1 | 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 | 2008-01-18 | 公開日 | 2009-01-20 | 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
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3C0A
| 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
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3CL9
| Structure of bifunctional TcDHFR-TS in complex with MTX | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS), ... | 著者 | Schormann, N, Senkovich, O, Chattopadhyay, D. | 登録日 | 2008-03-18 | 公開日 | 2009-01-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.3 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
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3CLB
| Structure of bifunctional TcDHFR-TS in complex with TMQ | 分子名称: | 1,2-ETHANEDIOL, DHFR-TS, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Schormann, N, Senkovich, O, Chattopadhyay, D. | 登録日 | 2008-03-18 | 公開日 | 2009-01-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3 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
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3DG8
| Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide, ... | 著者 | Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S. | 登録日 | 2008-06-13 | 公開日 | 2009-01-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. Acs Chem.Biol., 4, 2009
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3DGA
| Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, ... | 著者 | Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S. | 登録日 | 2008-06-13 | 公開日 | 2009-01-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. Acs Chem.Biol., 4, 2009
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3EAW
| Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase | 著者 | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H. | 登録日 | 2008-08-26 | 公開日 | 2010-03-02 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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3EBU
| Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase | 著者 | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H. | 登録日 | 2008-08-28 | 公開日 | 2010-03-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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3ED7
| 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, Pena, M.M, Berger, F.G, Berger, S.H. | 登録日 | 2008-09-02 | 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
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3EDW
| 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, Pena, M.M, Berger, F.G, Berger, S.H. | 登録日 | 2008-09-03 | 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
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3EF9
| 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, Pena, M.M, Berger, F.G, Berger, S.H. | 登録日 | 2008-09-08 | 公開日 | 2010-03-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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3EGY
| Crystal Structure of Human Thymidyalte Synthase A191K with Loop 181-197 stabilized in the inactive conformation | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase | 著者 | Lovelace, L.L, Gibson, L.M, Johnson, S.R, Berger, S.H, Lebioda, L. | 登録日 | 2008-09-11 | 公開日 | 2009-08-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Variants of human thymidylate synthase with loop 181-197 stabilized in the inactive conformation. Protein Sci., 18, 2009
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3EHI
| Crystal Structure of Human Thymidyalte Synthase M190K with Loop 181-197 stabilized in the inactive conformation | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase | 著者 | Lovelace, L.L, Gibson, L.M, Johnson, S.R, Berger, S.H, Lebioda, L. | 登録日 | 2008-09-12 | 公開日 | 2009-08-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Variants of human thymidylate synthase with loop 181-197 stabilized in the inactive conformation. Protein Sci., 18, 2009
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