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

---

2PW3	Structure of the PDE4D-cAMP complex 分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D 著者 Wang, H, Robinson, H, Ke, H. 登録日 2007-05-10 公開日 2007-10-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 The molecular basis for different recognition of substrates by phosphodiesterase families 4 and 10. J.Mol.Biol., 371, 2007
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
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
5JO3	PDE5A for NaV1.7 分子名称: 1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase 著者 Storer, I, Chrencik, J. 登録日 2016-05-01 公開日 2017-05-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 PDE5A for NaV1.7 To be published
5K1I	PDE4 crystal structure in complex with small molecule inhibitor 分子名称: 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid, MAGNESIUM ION, ZINC ION, ... 著者 Segarra, V, Hernandez, B, Ferrer-Miralles, N, Korndoerfer, I, Aymami, J. 登録日 2016-05-18 公開日 2016-12-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships. J. Med. Chem., 59, 2016
6KK0	Crystal structure of PDE4D catalytic domain complexed with compound 4e 分子名称: 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid, MAGNESIUM ION, ZINC ION, ... 著者 Huang, Y.-Y, He, X, Luo, H.-B. 登録日 2019-07-23 公開日 2020-03-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.20008755 Å) 主引用文献 Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia. J.Med.Chem., 63, 2020
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
6K9U	Discovery of Pyrazolo[1,5-a]pyrimidine Derivative as a Highly Selective PDE10A Inhibitor 分子名称: 2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, SULFATE ION, ... 著者 Takedomi, K, Koizumi, Y. 登録日 2019-06-18 公開日 2019-07-17 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Discovery of a pyrazolo[1,5-a]pyrimidine derivative (MT-3014) as a highly selective PDE10A inhibitor via core structure transformation from the stilbene moiety. Bioorg.Med.Chem., 27, 2019
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
4NPW	Crystal structure of human PDE1B bound to inhibitor 19A (7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine) 分子名称: 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... 著者 Pandit, J, Evdomikov, A, Mansour, M, Simons, S. 登録日 2013-11-22 公開日 2014-07-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1 MEDCHEMCOMM, 2014
5K32	PDE4D crystal structure in complex with small molecule inhibitor 分子名称: 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ... 著者 Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J. 登録日 2016-05-19 公開日 2017-03-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships. J. Med. Chem., 61, 2018
5K6J	Human Phospodiesterase 4B in complex with pyridyloxy-benzoxaborole based inhibitor 分子名称: 1,2-ETHANEDIOL, 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile, MAGNESIUM ION, ... 著者 Rock, F.L, Zhou, Y, Sullivan, D. 登録日 2016-05-24 公開日 2017-05-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 To be published To Be Published
4NPV	Crystal structure of human PDE1B bound to inhibitor 7A (6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine) 分子名称: 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... 著者 Pandit, J, Evdomikov, A, Mansour, M, Simons, S. 登録日 2013-11-22 公開日 2014-07-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1 MEDCHEMCOMM, 2014
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
6L6E	Human PDE5 catalytic core in complex with avanafil 分子名称: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, MAGNESIUM ION, SULFATE ION, ... 著者 Hsieh, C.M, Chan, N.L. 登録日 2019-10-28 公開日 2020-09-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding. J.Med.Chem., 63, 2020
4NW7	PDE4 catalytic domain 分子名称: (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ... 著者 Fox III, D, Edwards, T.E. 登録日 2013-12-05 公開日 2014-10-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Discovery of triazines as selective PDE4B versus PDE4D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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
4OEW	Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors 分子名称: 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Chen, T.T, Ren, J, Xu, Y.C. 登録日 2014-01-14 公開日 2015-04-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
4OGB	Crystal structure of the catalytic domain of PDE4D2 with compound 2 分子名称: (2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Feil, S.C, Parker, M.W. 登録日 2014-01-15 公開日 2015-01-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.032 Å) 主引用文献 The PDE inhibition profile of LY294002 and tetrahydropyranyl analogues reveals a chromone motif for the development of PDE inhibitors To be Published

<1234567891011121314>