4QGE
| phosphodiesterase-9A in complex with inhibitor WYQ-C36D | Descriptor: | 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, ... | Authors: | Shao, Y.-X, Huang, M, Cui, W, Ke, H. | Deposit date: | 2014-05-22 | Release date: | 2014-12-10 | Last modified: | 2015-01-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent. J.Med.Chem., 57, 2014
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5B25
| Crystal structure of human PDE1B with inhibitor 3 | Descriptor: | (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, ... | Authors: | Ida, K, Lane, W, Snell, G, Sogabe, S. | Deposit date: | 2016-01-07 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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8BPY
| X-RAY STRUCTURE OF PDE9A IN COMPLEX WITH Inhibitor 13A | Descriptor: | (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, ... | Authors: | Steuber, H. | Deposit date: | 2022-11-18 | Release date: | 2022-12-28 | Last modified: | 2023-01-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | BAY-7081: A Potent, Selective, and Orally Bioavailable Cyanopyridone-Based PDE9A Inhibitor. J.Med.Chem., 65, 2022
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1F0J
| CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B | Descriptor: | ARSENIC, MAGNESIUM ION, PHOSPHODIESTERASE 4B, ... | Authors: | 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. | Deposit date: | 2000-05-16 | Release date: | 2000-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity. Science, 288, 2000
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6VBI
| crystal structure of PDE5 in complex with a non-competitive inhibitor | Descriptor: | (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 | Authors: | Ke, H, Luo, H.B. | Deposit date: | 2019-12-18 | Release date: | 2021-01-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.30000758 Å) | Cite: | Identification of a novel allosteric pocket and its regulation mechanism To Be Published
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1MKD
| crystal structure of PDE4D catalytic domain and zardaverine complex | Descriptor: | 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE, MAGNESIUM ION, Phosphodiesterase 4D, ... | Authors: | Lee, M.E, Markowitz, J, Lee, J.-O, Lee, H. | Deposit date: | 2002-08-29 | Release date: | 2003-03-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of phosphodiesterase 4D and inhibitor complex FEBS LETT., 530, 2002
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4W1O
| PDE4D complexed with inhibitor | Descriptor: | 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 | Authors: | Sorensen, M.D. | Deposit date: | 2014-08-14 | Release date: | 2014-11-05 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
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4WCU
| PDE4 complexed with inhibitor | Descriptor: | MAGNESIUM ION, N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide, ZINC ION, ... | Authors: | Sorensen, M.D. | Deposit date: | 2014-09-05 | Release date: | 2014-10-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 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
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2YY2
| Crystal structure of the human Phosphodiesterase 9A catalytic domain complexed with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High-affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Handa, N, Shirouzu, M, Terada, T, Omori, K, Kotera, J, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-27 | Release date: | 2007-10-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the human Phosphodiesterase 9A catalytic domain To be Published
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2ZMF
| Crystal structure of the C-terminal GAF domain of human phosphodiesterase 10A | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Handa, N, Kishishita, S, Mizohata, E, Omori, K, Kotera, J, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-04-17 | Release date: | 2008-04-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the GAF-B Domain from Human Phosphodiesterase 10A Complexed with Its Ligand, cAMP J.Biol.Chem., 283, 2008
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4C1I
| Selective Inhibitors of PDE2, PDE9, and PDE10: Modulators of Activity of the Central Nervous System | Descriptor: | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | Authors: | Jorgensen, M, Kehler, J, Langgard, M, Svenstrup, N, Tagmose, L. | Deposit date: | 2013-08-12 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chapter 4: Selective Inhibitors of Pde2, Pde9, and Pde10: Modulators of Activity of the Central Nervous System To be Published
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8K4C
| Crystal structure of PDE4D complexed with ethaverine hydrochloride | Descriptor: | 1,2-ETHANEDIOL, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-07-17 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8K4H
| Crystal structure of PDE4D complexed with benzbromarone | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-07-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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4D08
| PDE2a catalytic domain in complex with a brain penetrant inhibitor | Descriptor: | 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, ... | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | Deposit date: | 2014-04-24 | Release date: | 2014-08-06 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement. Acs Med.Chem.Lett., 5, 2014
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4D09
| PDE2a catalytic domain in complex with a brain penetrant inhibitor | Descriptor: | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ... | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | Deposit date: | 2014-04-24 | Release date: | 2014-08-06 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement. Acs Med.Chem.Lett., 5, 2014
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1ZKN
| Structure of PDE4D2-IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ... | Authors: | Huai, Q, Liu, Y, Francis, S.H, Corbin, J.D, Ke, H. | Deposit date: | 2005-05-03 | Release date: | 2005-05-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
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1ZKL
| Multiple Determinants for Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High-affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | Authors: | Wang, H, Liu, Y, Chen, Y, Robinson, H, Ke, H. | Deposit date: | 2005-05-03 | Release date: | 2005-07-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Multiple elements jointly determine inhibitor selectivity of cyclic nucleotide phosphodiesterases 4 and 7 J.Biol.Chem., 280, 2005
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1Z1L
| The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ... | Authors: | Ding, Y.H, Kohls, D, Low, C. | Deposit date: | 2005-03-04 | Release date: | 2005-06-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System. Biochemistry, 44, 2005
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2CHM
| Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5 | Descriptor: | 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', ... | Authors: | 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. | Deposit date: | 2006-03-15 | Release date: | 2006-06-08 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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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5L8Y
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 | Descriptor: | 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, ... | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | Deposit date: | 2016-06-08 | Release date: | 2018-03-14 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | 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
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5L8C
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039 | Descriptor: | 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, ... | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | Deposit date: | 2016-06-07 | Release date: | 2018-03-14 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | 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
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5LBO
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001 | Descriptor: | (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, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2016-06-16 | Release date: | 2018-03-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 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
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5L9H
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 | Descriptor: | 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, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2016-06-10 | Release date: | 2018-03-14 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 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
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2FM5
| Crystal structure of PDE4D2 in complex with inhibitor L-869299 | Descriptor: | (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ... | Authors: | Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H. | Deposit date: | 2006-01-07 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase J.Med.Chem., 49, 2006
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2FM0
| Crystal structure of PDE4D in complex with L-869298 | Descriptor: | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY L)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ... | Authors: | Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H. | Deposit date: | 2006-01-06 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase J.Med.Chem., 49, 2006
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