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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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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6HNR
 | | Trypanosoma brucei PTR1 in complex with the triazine inhibitor 1 (F217) | | 分子名称: | 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ... | | 著者 | Landi, G, Pozzi, C, Mangani, S. | | 登録日 | 2018-09-17 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors.
Acs Infect Dis., 5, 2019
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6HNC
 | | Trypanosoma brucei PTR1 in complex with cycloguanil | | 分子名称: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Landi, G, Pozzi, C, Mangani, S. | | 登録日 | 2018-09-14 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors.
Acs Infect Dis., 5, 2019
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6HOW
 | | Trypanosoma brucei PTR1 in complex with the triazine inhibitor 2a (F219). | | 分子名称: | (2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase | | 著者 | Landi, G, Pozzi, C, Mangani, S. | | 登録日 | 2018-09-18 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors.
Acs Infect Dis., 5, 2019
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6H9O
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6H9N
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6RX0
 | | Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 3 (NMT-C0013) | | 分子名称: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Landi, G, Pozzi, C, Mangani, S. | | 登録日 | 2019-06-07 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
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6RX5
 | | Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 1 (NMT-C0003) | | 分子名称: | ACETATE ION, GLYCEROL, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, ... | | 著者 | Landi, G, Pozzi, C, Mangani, S. | | 登録日 | 2019-06-07 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
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7M73
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7M79
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7M67
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6RX6
 | | Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 4 (NMT-C0026) | | 分子名称: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ... | | 著者 | Landi, G, Pozzi, C, Mangani, S. | | 登録日 | 2019-06-07 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
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5K6A
 | | Trypanosoma brucei Pteridine reductase 1 (PTR1) in complex with compound 1 | | 分子名称: | (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | | 登録日 | 2016-05-24 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
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8SUV
 | | CHIP-TPR in complex with the C-terminus of CHIC2 | | 分子名称: | Cysteine-rich hydrophobic domain-containing protein 2, E3 ubiquitin-protein ligase CHIP, SULFATE ION | | 著者 | Cupo, A.R, McDermott, L.E, DeSilva, A.R, Callahan, M, Nix, J.C, Gestwicki, J.E, Page, R.C. | | 登録日 | 2023-05-13 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Interaction with the membrane-anchored protein CHIC2 constrains the ubiquitin ligase activity of CHIP
Biorxiv, 2023
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5L42
 | | Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3 | | 分子名称: | (2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S. | | 登録日 | 2016-05-24 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
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3R2J
 | | Crystal Structure of PnC1 from L. infantum in complex with nicotinate | | 分子名称: | Alpha/beta-hydrolase-like protein, CHLORIDE ION, NICOTINIC ACID, ... | | 著者 | Gazanion, E, Garcia, D, Guichou, J.-F, Labesse, G, Sereno, D, Vergnes, B. | | 登録日 | 2011-03-14 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | The Leishmania nicotinamidase is essential for NAD(+) production and parasite proliferation.
Mol.Microbiol., 82, 2011
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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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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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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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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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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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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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