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

---

3K3E	Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691 分子名称: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. 登録日 2009-10-02 公開日 2010-02-16 最終更新日 2013-11-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis J.Med.Chem., 53, 2010
3K3H	Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691 分子名称: 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. 登録日 2009-10-02 公開日 2010-02-16 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis J.Med.Chem., 53, 2010
3K4S	The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone 分子名称: (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, MAGNESIUM ION, ZINC ION, ... 著者 Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M. 登録日 2009-10-06 公開日 2009-10-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone To be Published
3KKT	Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509. 分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one, MAGNESIUM ION, ... 著者 Cheng, R.K.Y, Crawley, L, Barker, J, Whittaker, M. 登録日 2009-11-06 公開日 2009-11-24 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509. To be Published
3LXG	Crystal structure of rat phosphodiesterase 10A in complex with ligand WEB-3 分子名称: 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine, MAGNESIUM ION, ZINC ION, ... 著者 Mosbacher, T, Jestel, A, Steinbacher, S. 登録日 2010-02-25 公開日 2010-05-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors. J.Med.Chem., 53, 2010
3LY2	Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor 分子名称: 8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one, MAGNESIUM ION, SULFATE ION, ... 著者 Shiau, A.K, Coyle, A.R, Hsien, J.H, Staszewski, L.M. 登録日 2010-02-26 公開日 2010-04-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Water-soluble PDE4 inhibitors for the treatment of dry eye. Bioorg.Med.Chem.Lett., 20, 2010
3N3Z	Crystal structure of PDE9A (E406A) mutant in complex with IBMX 分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, CHLORIDE ION, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... 著者 Hou, J, Luo, H.-B, Chen, Y, Xu, J, Zhao, R, Zou, L. 登録日 2010-05-21 公開日 2011-04-13 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Crystal structure of PDE9A (E406A) mutation in complex with IBMX To be Published
3O0J	PDE4B In complex with ligand an2898 分子名称: 1,2-ETHANEDIOL, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile, MAGNESIUM ION, ... 著者 Alley, M.R.K, Zhou, Y. 登録日 2010-07-19 公開日 2011-08-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. Febs Lett., 586, 2012
3O56	Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor 分子名称: 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ... 著者 Somers, D.O, Neu, M. 登録日 2010-07-28 公開日 2011-08-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR. Bioorg.Med.Chem.Lett., 20, 2010
3O57	Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor 分子名称: 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ... 著者 Somers, D.O, Neu, M. 登録日 2010-07-28 公開日 2011-08-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR. Bioorg.Med.Chem.Lett., 20, 2010
3QI4	Crystal structure of PDE9A(Q453E) in complex with IBMX 分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. 登録日 2011-01-26 公開日 2011-04-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
3QI3	Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691 分子名称: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. 登録日 2011-01-26 公開日 2011-04-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
3QPP	Structure of PDE10-inhibitor complex 分子名称: 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... 著者 Pandit, J, Marr, E.S. 登録日 2011-02-14 公開日 2011-06-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
3QPO	Structure of PDE10-inhibitor complex 分子名称: 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... 著者 Pandit, J, Marr, E.S. 登録日 2011-02-14 公開日 2011-06-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
3QPN	Structure of PDE10-inhibitor complex 分子名称: 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... 著者 Pandit, J, Marr, E.S. 登録日 2011-02-14 公開日 2011-06-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
3SHZ	Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors 分子名称: 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Chen, T.T, Chen, T, Xu, Y.C. 登録日 2011-06-17 公開日 2011-08-24 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.449 Å) 主引用文献 Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
3SHY	Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors 分子名称: 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Chen, T.T, Chen, T, Xu, Y.C. 登録日 2011-06-17 公開日 2011-08-24 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.647 Å) 主引用文献 Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
3SIE	Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors 分子名称: 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase 著者 Chen, T.T, Chen, T, Xu, Y.C. 登録日 2011-06-17 公開日 2011-08-24 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
3SL8	Crystal structure of the catalytic domain of PDE4D2 with compound 10o 分子名称: 1,2-ETHANEDIOL, 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate, DI(HYDROXYETHYL)ETHER, ... 著者 Feil, S.F. 登録日 2011-06-24 公開日 2011-10-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2. Bioorg.Med.Chem.Lett., 21, 2011
3SL3	Crystal structure of the apo form of the catalytic domain of PDE4D2 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... 著者 Feil, S.F. 登録日 2011-06-24 公開日 2011-10-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2. Bioorg.Med.Chem.Lett., 21, 2011
3SL4	Crystal structure of the catalytic domain of PDE4D2 with compound 10D 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... 著者 Feil, S.F. 登録日 2011-06-24 公開日 2011-10-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2. Bioorg.Med.Chem.Lett., 21, 2011
3SL6	Crystal structure of the catalytic domain of PDE4D2 with compound 12c 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... 著者 Feil, S.F. 登録日 2011-06-24 公開日 2011-10-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2. Bioorg.Med.Chem.Lett., 21, 2011
3SL5	Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... 著者 Feil, S.F. 登録日 2011-06-24 公開日 2011-10-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2. Bioorg.Med.Chem.Lett., 21, 2011
3TGE	A novel series of potent and selective PDE5 inhibitor1 分子名称: 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Han, S. 登録日 2011-08-17 公開日 2011-11-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region. Bioorg.Med.Chem.Lett., 21, 2011
3TGG	A novel series of potent and selective PDE5 inhibitor2 分子名称: 7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Han, S. 登録日 2011-08-17 公開日 2012-01-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region. Bioorg.Med.Chem.Lett., 21, 2011

<1234567891011121314>