3R0I
| IspC in complex with an N-methyl-substituted hydroxamic acid | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid | 著者 | Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T. | 登録日 | 2011-03-08 | 公開日 | 2011-09-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr). J.Med.Chem., 54, 2011
|
|
5G57
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-001 | 分子名称: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-05-22 | 公開日 | 2017-11-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5G2B
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008 | 分子名称: | CLASS 1 PHOSPHODIESTERASE PDEB1, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | 登録日 | 2016-04-07 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5G5V
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 | 分子名称: | (4AS,8AR)-4-(3-{4-[(3R)-3-HYDROXYPYRROLIDINE-1-, 1,2-ETHANEDIOL, FORMIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-06-06 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5L8Y
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 | 分子名称: | 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | 登録日 | 2016-06-08 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5L8C
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039 | 分子名称: | 4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | 著者 | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | 登録日 | 2016-06-07 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5LAQ
| Crystal structure of human phosphodiesterase 4B catalytic domain with inhibitor NPD-001 | 分子名称: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, ACETATE ION, MAGNESIUM ION, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-06-14 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5LBO
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001 | 分子名称: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-06-16 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5L9H
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 | 分子名称: | 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-06-10 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
6FDX
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1086 | 分子名称: | (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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2017-12-27 | 公開日 | 2019-04-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | TbrPDEB1 structure with inhibitor NPD-1086 To be published
|
|
6FEB
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1086 | 分子名称: | (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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2017-12-31 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | hPDE4D2 structure with inhibitor NPD-1086 To be published
|
|
6FDI
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-226 | 分子名称: | 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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2017-12-24 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | hPDE4D2 structure with inhibitor NPD-226 To be published
|
|
6FDW
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-356 | 分子名称: | (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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2017-12-27 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | TbrPDEB1 structure with inhibitor NPD-356 To be published
|
|
6FE3
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1439 | 分子名称: | 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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2017-12-28 | 公開日 | 2019-04-10 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | TbrPDEB1 structure with inhibitor NPD-1439 To be published
|
|
6FDS
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-226 | 分子名称: | 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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2017-12-26 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | TbrPDEB1 structure with inhibitor NPD-226 To be published
|
|
6FW3
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-007 | 分子名称: | 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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2018-03-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | hPDE4D2 structure with inhibitor NPD-007 To be published
|
|
6FE7
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-356 | 分子名称: | (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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2017-12-29 | 公開日 | 2019-04-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | hPDE4D2 structure with inhibitor NPD-356 To be published
|
|
6FET
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1439 | 分子名称: | 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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2018-01-03 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | hPDE4D2 structure with inhibitor NPD-1439 To be published
|
|
6FV9
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-007 | 分子名称: | 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, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2018-03-01 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | TbrPDEB1 structure with inhibitor NPD-007 To be published
|
|