6GD4
| Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188) | Descriptor: | 2-amino-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-21 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | 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) | Descriptor: | 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-18 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | 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) | Descriptor: | 6-methylsulfonyl-1,3-benzothiazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-18 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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) | Descriptor: | 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-18 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | 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) | Descriptor: | 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-24 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | 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) | Descriptor: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide, ACETATE ION, GLYCEROL, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-27 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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) | Descriptor: | 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-27 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6FDX
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1086 | Descriptor: | (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, FORMIC ACID, GUANIDINE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-27 | Release date: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-1086 To be published
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6FEB
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1086 | Descriptor: | (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-31 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-1086 To be published
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6FDI
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-226 | Descriptor: | 1,2-ETHANEDIOL, 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-24 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-226 To be published
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6FDW
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-356 | Descriptor: | (4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, GLYCEROL, GUANIDINE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-27 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-356 To be published
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6FE3
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1439 | Descriptor: | 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione, FORMIC ACID, GLYCEROL, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-28 | Release date: | 2019-04-10 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-1439 To be published
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6FDS
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-226 | Descriptor: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione, GLYCEROL, GUANIDINE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-26 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-226 To be published
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6FE7
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-356 | Descriptor: | (4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-29 | Release date: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-356 To be published
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6FET
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1439 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-01-03 | Release date: | 2019-04-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-1439 To be published
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6FW3
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-007 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-03-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-007 To be published
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6FV9
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-007 | Descriptor: | 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, GLYCEROL, MAGNESIUM ION, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-03-01 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-007 To be published
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