5JCJ
| Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7) | 分子名称: | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. | 登録日 | 2016-04-15 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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5JDC
| Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin) | 分子名称: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | 著者 | Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L. | 登録日 | 2016-04-16 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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6ZXO
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2QHX
| Structure of Pteridine Reductase from Leishmania major complexed with a ligand | 分子名称: | IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N. | 登録日 | 2007-07-03 | 公開日 | 2007-12-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development. Proc.Natl.Acad.Sci.USA, 105, 2008
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6GCK
| Trypanosoma brucei PTR1 in complex with inhibitor 1e (F206) | 分子名称: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GD4
| Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188) | 分子名称: | 2-amino-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | 著者 | Landi, G, Pozzi, C, Mangani, S. | 登録日 | 2018-04-21 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCQ
| Trypanosoma brucei PTR1 in complex with inhibitor 2b (F192) | 分子名称: | 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCL
| Trypanosoma brucei PTR1 in complex with inhibitor 3a (F020) | 分子名称: | 6-methylsulfonyl-1,3-benzothiazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase | 著者 | Landi, G, Pozzi, C, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCP
| Trypanosoma brucei PTR1 in complex with inhibitor 2d (F186) | 分子名称: | 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GDP
| Trypanosoma brucei PTR1 in complex with inhibitor 4l (F162) | 分子名称: | 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-24 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GEX
| Trypanosoma brucei PTR1 in complex with inhibitor 2h (F246) | 分子名称: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide, ACETATE ION, GLYCEROL, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-27 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GEY
| Trypanosoma brucei PTR1 in complex with inhibitor 4g (F125) | 分子名称: | 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Landi, G, Pozzi, C, Mangani, S. | 登録日 | 2018-04-27 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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4O1X
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4O1U
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4KPW
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5J7W
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6QYQ
| Crystal structure of human thymidylate synthase (hTS) variant R175C | 分子名称: | CHLORIDE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | 著者 | Pozzi, C, Mangani, M. | 登録日 | 2019-03-09 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural and Functional Characterization of the Human Thymidylate Synthase (hTS) Interface Variant R175C, New Perspectives for the Development of hTS Inhibitors. Molecules, 24, 2019
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6QYA
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6QXH
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6QXG
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6QXS
| Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with FdUMP | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | 著者 | Pozzi, C, Mangani, M. | 登録日 | 2019-03-07 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities. Molecules, 24, 2019
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6GDO
| Trypanosoma brucei PTR1 in complex with inhibitor 2g (F240) | 分子名称: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-24 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GD0
| Trypanosoma brucei PTR1 in complex with inhibitor 4g (F133) | 分子名称: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ... | 著者 | Landi, G, Pozzi, C, Mangani, S. | 登録日 | 2018-04-20 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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4JEF
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4O7U
| Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7 | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ... | 著者 | Mangani, S, Pozzi, C. | 登録日 | 2013-12-26 | 公開日 | 2014-12-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors. Eur.J.Med.Chem., 123, 2016
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