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

---

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
7VTW	Crystal structure of PDE8A catalytic domain in complex with 17 分子名称: 2-chloro-9-(3-(2,2-difluoroethoxy)-5-isopropoxybenzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... 著者 Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. 登録日 2021-10-31 公開日 2022-11-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.79971337 Å) 主引用文献 Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia To Be Published
7VSL	Crystal structure of PDE8A catalytic domain in complex with 10 分子名称: 2-chloro-9-(3-(2,2-difluoroethoxy)benzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... 著者 Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. 登録日 2021-10-26 公開日 2022-11-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.500069 Å) 主引用文献 Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia To Be Published
7VTV	Crystal structure of PDE8A catalytic domain in complex with 15 分子名称: 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... 著者 Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. 登録日 2021-10-31 公開日 2022-11-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia To Be Published
7VTX	Crystal structure of PDE8A catalytic domain in complex with 22 分子名称: 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(pyridin-4-yl)benzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... 著者 Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. 登録日 2021-10-31 公開日 2022-11-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.50010943 Å) 主引用文献 Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia To Be Published
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
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
7W4X	Crystal structure of PDE4D catalytic domain complexed with 17 分子名称: (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... 著者 Huang, Y.-Y, Luo, H.-B. 登録日 2021-11-29 公開日 2022-03-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.20007324 Å) 主引用文献 Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis. J.Med.Chem., 65, 2022
7W4Y	Crystal structure of PDE4D catalytic domain complexed with 33a 分子名称: (2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... 著者 Huang, Y.-Y, Luo, H.-B. 登録日 2021-11-29 公開日 2022-03-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.10002947 Å) 主引用文献 Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis. J.Med.Chem., 65, 2022
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
2QYL	Crystal structure of PDE4B2B in complex with inhibitor NPV 分子名称: 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, MAGNESIUM ION, Phosphodiesterase 4B, ... 著者 Ke, H. 登録日 2007-08-15 公開日 2008-04-08 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors. Biochem.J., 408, 2007
2QYM	crystal structure of unliganded PDE4C2 分子名称: MAGNESIUM ION, Phosphodiesterase 4C, ZINC ION 著者 Ke, H. 登録日 2007-08-15 公開日 2008-04-08 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors. Biochem.J., 408, 2007
2QYK	Crystal structure of PDE4A10 in complex with inhibitor NPV 分子名称: 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, Cyclic AMP-specific phosphodiesterase HSPDE4A10, MAGNESIUM ION, ... 著者 Wang, H, Peng, M, Chen, Y, Geng, J, Robinson, H, Houslay, M. 登録日 2007-08-15 公開日 2008-04-08 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors. Biochem.J., 408, 2007
2QYN	Crystal structure of PDE4D2 in complex with inhibitor NPV 分子名称: 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, MAGNESIUM ION, ZINC ION, ... 著者 Ke, H. 登録日 2007-08-15 公開日 2008-04-08 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors. Biochem.J., 408, 2007
2R8Q	Structure of LmjPDEB1 in complex with IBMX 分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, Class I phosphodiesterase PDEB1, MAGNESIUM ION, ... 著者 Wang, H, Yan, Z, Geng, J, Kunz, S, Seebeck, T, Ke, H. 登録日 2007-09-11 公開日 2007-12-18 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of the Leishmania major phosphodiesterase LmjPDEB1 and insight into the design of the parasite-selective inhibitors. Mol.Microbiol., 66, 2007
4G2L	Human PDE9 in complex with selective compound 分子名称: 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Liu, S. 登録日 2012-07-12 公開日 2013-05-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J.Med.Chem., 55, 2012
4G2J	Human pde9 in complex with selective compound 分子名称: 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Liu, S. 登録日 2012-07-12 公開日 2013-05-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J.Med.Chem., 55, 2012
4GH6	Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28 分子名称: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide, ... 著者 Hou, J, Ke, H. 登録日 2012-08-07 公開日 2012-10-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure-Based Discovery of Highly Selective Phosphodiesterase-9A Inhibitors and Implications for Inhibitor Design. J.Med.Chem., 55, 2012
4HTX	Crystal structure of PDE2 catalytic domain in complex with BAY60-7550 分子名称: 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Zhu, J, Huang, Q. 登録日 2012-11-02 公開日 2013-08-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 X-ray Crystal Structure of Phosphodiesterase 2 in Complex with a Highly Selective, Nanomolar Inhibitor Reveals a Binding-Induced Pocket Important for Selectivity. J.Am.Chem.Soc., 135, 2013
4HTZ	Crystal structure of PDE2 catalytic domain in space group P1 分子名称: MAGNESIUM ION, ZINC ION, cGMP-dependent 3',5'-cyclic phosphodiesterase 著者 Zhu, J, Huang, Q. 登録日 2012-11-02 公開日 2013-08-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 X-ray Crystal Structure of Phosphodiesterase 2 in Complex with a Highly Selective, Nanomolar Inhibitor Reveals a Binding-Induced Pocket Important for Selectivity. J.Am.Chem.Soc., 135, 2013
4I15	Crystal structure of TbrPDEB1 分子名称: Class 1 phosphodiesterase PDEB1, MAGNESIUM ION, ZINC ION 著者 Wang, H, Ke, H. 登録日 2012-11-20 公開日 2013-03-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure. J.Med.Chem., 56, 2013
4IA0	Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors 分子名称: 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Ren, J, Chen, T, Xu, Y. 登録日 2012-12-05 公開日 2014-01-01 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
4I9Z	Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors 分子名称: 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... 著者 Ren, J, Chen, T, Xu, Y. 登録日 2012-12-05 公開日 2014-01-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
4JIB	Crystal structure of of PDE2-inhibitor complex 分子名称: 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Pandit, J. 登録日 2013-03-05 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
4KP6	Crystal structure of human phosphodiesterase 4B (PDE4B) in complex with a [1,3,5]triazine derivative 分子名称: 1,2-ETHANEDIOL, 2-ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile, MAGNESIUM ION, ... 著者 Gewald, R, Grunwald, C, Egerland, U. 登録日 2013-05-13 公開日 2013-07-10 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Discovery of triazines as potent, selective and orally active PDE4 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013

<1234567891011121314>