PDB: 346 件ウェブページステータス検索Chemie searchBIRD

---

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
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
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
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
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
6C7D	Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide 分子名称: 1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... 著者 Xu, R, Aertgeerts, K. 登録日 2018-01-22 公開日 2018-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
6C7E	Crystal structure of human phosphodiesterase 2A with 1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide 分子名称: 1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... 著者 Xu, R, Aertgeerts, K. 登録日 2018-01-22 公開日 2018-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
6C7I	Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-methoxy-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide 分子名称: 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... 著者 Xu, R, Aertgeerts, K. 登録日 2018-01-22 公開日 2018-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.713 Å) 主引用文献 Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
6C7J	Crystal structure of human phosphodiesterase 2A with 1-(5-tert-butoxy-2-chloro-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide 分子名称: 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... 著者 Xu, R, Aertgeerts, K. 登録日 2018-01-22 公開日 2018-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
6C7G	Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chloro-5-isobutoxy-phenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide 分子名称: 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... 著者 Xu, R, Aertgeerts, K. 登録日 2018-01-22 公開日 2018-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
6C7F	Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-isobutoxy-phenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide 分子名称: 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... 著者 Xu, R, Aertgeerts, K. 登録日 2018-01-22 公開日 2018-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
6FRD	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637 分子名称: 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one, FORMIC ACID, GUANIDINE, ... 著者 Singh, A.K, Brown, D.G. 登録日 2018-02-15 公開日 2019-03-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637 To be published
6FT0	Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-425 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, ... 著者 Singh, A.K, Brown, D.G. 登録日 2018-02-20 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 hPDE4D2 structure with inhibitor NPD-425 To be published
6FTA	Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-3098 分子名称: (4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Singh, A.K, Brown, D.G. 登録日 2018-02-20 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 hPDE4D2 structure with inhibitor NPD-3098 To be published
6FTM	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048 分子名称: 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, FORMIC ACID, ... 著者 Singh, A.K, Brown, D.G. 登録日 2018-02-22 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048 To be published
6FTW	Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048 分子名称: 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Singh, A.K, Brown, D.G. 登録日 2018-02-24 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors. Bioorg.Med.Chem., 27, 2019
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
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
6CPT	crystal structure of yeast caPDE2 in complex with IBMX 分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ... 著者 Ke, h, Wang, Y. 登録日 2018-03-14 公開日 2019-02-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
6CPU	Crystal structure of yeast caPDE2 分子名称: MAGNESIUM ION, Phosphodiesterase, ZINC ION 著者 Ke, H, Wang, y. 登録日 2018-03-14 公開日 2019-02-20 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
6CYC	PDE2 in complex with compound 5 分子名称: 1,2-ETHANEDIOL, 3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ... 著者 Lu, J. 登録日 2018-04-05 公開日 2018-09-19 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
6CYB	PDE2 in complex with compound 7 分子名称: 1,2-ETHANEDIOL, 3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ... 著者 Lu, J. 登録日 2018-04-05 公開日 2018-09-19 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
6CYD	PDE2 in complex with compound 7 分子名称: 1,2-ETHANEDIOL, 3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, MAGNESIUM ION, ... 著者 Lu, J. 登録日 2018-04-05 公開日 2018-09-19 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
5ZZ2	Crystal structure of PDE5 in complex with inhibitor LW1634 分子名称: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... 著者 Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. 登録日 2018-05-29 公開日 2018-09-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension. J. Med. Chem., 61, 2018
6A3N	Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 分子名称: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. 登録日 2018-06-15 公開日 2019-04-10 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia. J. Med. Chem., 62, 2019

<34567891011121314>