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

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4W1O	PDE4D complexed with inhibitor 分子名称: N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D 著者 Sorensen, M.D. 登録日 2014-08-14 公開日 2014-11-05 最終更新日 2020-03-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis J.Med.Chem, 57, 2014
5B25	Crystal structure of human PDE1B with inhibitor 3 分子名称: (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... 著者 Ida, K, Lane, W, Snell, G, Sogabe, S. 登録日 2016-01-07 公開日 2016-02-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases J.Med.Chem., 59, 2016
8BPY	X-RAY STRUCTURE OF PDE9A IN COMPLEX WITH Inhibitor 13A 分子名称: (8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Steuber, H. 登録日 2022-11-18 公開日 2022-12-28 最終更新日 2023-01-11 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 BAY-7081: A Potent, Selective, and Orally Bioavailable Cyanopyridone-Based PDE9A Inhibitor. J.Med.Chem., 65, 2022
6VBI	crystal structure of PDE5 in complex with a non-competitive inhibitor 分子名称: (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase 著者 Ke, H, Luo, H.B. 登録日 2019-12-18 公開日 2021-01-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.30000758 Å) 主引用文献 Identification of a novel allosteric pocket and its regulation mechanism To Be Published
1F0J	CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B 分子名称: ARSENIC, MAGNESIUM ION, PHOSPHODIESTERASE 4B, ... 著者 Xu, R.X, Hassell, A.M, Vanderwall, D, Lambert, M.H, Holmes, W.D, Luther, M.A, Rocque, W.J, Milburn, M.V, Zhao, Y, Ke, H, Nolte, R.T. 登録日 2000-05-16 公開日 2000-07-26 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity. Science, 288, 2000
1MKD	crystal structure of PDE4D catalytic domain and zardaverine complex 分子名称: 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE, MAGNESIUM ION, Phosphodiesterase 4D, ... 著者 Lee, M.E, Markowitz, J, Lee, J.-O, Lee, H. 登録日 2002-08-29 公開日 2003-03-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal structure of phosphodiesterase 4D and inhibitor complex FEBS LETT., 530, 2002
4QGE	phosphodiesterase-9A in complex with inhibitor WYQ-C36D 分子名称: MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ... 著者 Shao, Y.-X, Huang, M, Cui, W, Ke, H. 登録日 2014-05-22 公開日 2014-12-10 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent. J.Med.Chem., 57, 2014
4WCU	PDE4 complexed with inhibitor 分子名称: MAGNESIUM ION, N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide, ZINC ION, ... 著者 Sorensen, M.D. 登録日 2014-09-05 公開日 2014-10-08 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis. J. Med. Chem., 57, 2014
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
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
2YY2	Crystal structure of the human Phosphodiesterase 9A catalytic domain complexed with IBMX 分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, High-affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Handa, N, Shirouzu, M, Terada, T, Omori, K, Kotera, J, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2007-04-27 公開日 2007-10-30 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of the human Phosphodiesterase 9A catalytic domain To be Published
2ZMF	Crystal structure of the C-terminal GAF domain of human phosphodiesterase 10A 分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 著者 Handa, N, Kishishita, S, Mizohata, E, Omori, K, Kotera, J, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2008-04-17 公開日 2008-04-29 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of the GAF-B Domain from Human Phosphodiesterase 10A Complexed with Its Ligand, cAMP J.Biol.Chem., 283, 2008
8K4C	Crystal structure of PDE4D complexed with ethaverine hydrochloride 分子名称: 1,2-ETHANEDIOL, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline, MAGNESIUM ION, ... 著者 Liu, J.Y, Li, M.J, Xu, Y.C. 登録日 2023-07-17 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
8K4H	Crystal structure of PDE4D complexed with benzbromarone 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, ZINC ION, ... 著者 Liu, J.Y, Li, M.J, Xu, Y.C. 登録日 2023-07-18 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
4C1I	Selective Inhibitors of PDE2, PDE9, and PDE10: Modulators of Activity of the Central Nervous System 分子名称: (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... 著者 Jorgensen, M, Kehler, J, Langgard, M, Svenstrup, N, Tagmose, L. 登録日 2013-08-12 公開日 2014-08-27 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Chapter 4: Selective Inhibitors of Pde2, Pde9, and Pde10: Modulators of Activity of the Central Nervous System To be Published
4D08	PDE2a catalytic domain in complex with a brain penetrant inhibitor 分子名称: 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... 著者 Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. 登録日 2014-04-24 公開日 2014-08-06 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement. Acs Med.Chem.Lett., 5, 2014
4D09	PDE2a catalytic domain in complex with a brain penetrant inhibitor 分子名称: CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ... 著者 Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. 登録日 2014-04-24 公開日 2014-08-06 最終更新日 2017-06-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement. Acs Med.Chem.Lett., 5, 2014
6NJH	Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-48 分子名称: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide, MAGNESIUM ION, ZINC ION, ... 著者 Fox III, D, Fairman, J.W, Gurney, M.E. 登録日 2019-01-03 公開日 2019-05-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders. J.Med.Chem., 62, 2019
6NJJ	Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 分子名称: (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Fox III, D, Fairman, J.W, Gurney, M.E. 登録日 2019-01-03 公開日 2019-05-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders. J.Med.Chem., 62, 2019
6NJI	Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49 分子名称: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol, MAGNESIUM ION, ZINC ION, ... 著者 Fox III, D, Fairman, J.W, Gurney, M.E. 登録日 2019-01-03 公開日 2019-05-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders. J.Med.Chem., 62, 2019
1ZKN	Structure of PDE4D2-IBMX 分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ... 著者 Huai, Q, Liu, Y, Francis, S.H, Corbin, J.D, Ke, H. 登録日 2005-05-03 公開日 2005-05-17 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structures of Phosphodiesterases 4 and 5 in Complex with Inhibitor 3-Isobutyl-1-Methylxanthine Suggest a Conformation Determinant of Inhibitor Selectivity J.Biol.Chem., 279, 2004
1ZKL	Multiple Determinants for Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases 分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, High-affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... 著者 Wang, H, Liu, Y, Chen, Y, Robinson, H, Ke, H. 登録日 2005-05-03 公開日 2005-07-05 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Multiple elements jointly determine inhibitor selectivity of cyclic nucleotide phosphodiesterases 4 and 7 J.Biol.Chem., 280, 2005
1Z1L	The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain 分子名称: MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ... 著者 Ding, Y.H, Kohls, D, Low, C. 登録日 2005-03-04 公開日 2005-06-21 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System. Biochemistry, 44, 2005
6QGU	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361 分子名称: 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one, FORMIC ACID, GLYCEROL, ... 著者 Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G. 登録日 2019-01-13 公開日 2020-02-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361 To be published
2CHM	Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, CGMP-SPECIFIC 3', ... 著者 Allerton, C.M.N, Barber, C.G, Beaumont, K.C, Brown, D.G, Cole, S.M, Ellis, D, Lane, C.A.L, Maw, G.N, Mount, N.M, Rawson, D.J, Robinson, C.M, Street, S.D.A, Summerhill, N.W. 登録日 2006-03-15 公開日 2006-06-08 最終更新日 2019-03-27 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A Novel Series of Potent and Selective Pde5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability J.Med.Chem., 49, 2006

 

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