3I8V
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![BU of 3i8v by Molmil](/molmil-images/mine/3i8v) | Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone | Descriptor: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, COBALT (II) ION, GLYCEROL, ... | Authors: | Cheng, R.K.Y, Crawley, L, Barker, J, Wood, M, Felicetti, B, Whittaker, M. | Deposit date: | 2009-07-10 | Release date: | 2009-07-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone To be Published
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3ITU
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![BU of 3itu by Molmil](/molmil-images/mine/3itu) | hPDE2A catalytic domain complexed with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ... | Authors: | Pandit, J. | Deposit date: | 2009-08-28 | Release date: | 2009-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Mechanism for the allosteric regulation of phosphodiesterase 2A deduced from the X-ray structure of a near full-length construct. Proc.Natl.Acad.Sci.USA, 106, 2009
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3IAD
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![BU of 3iad by Molmil](/molmil-images/mine/3iad) | |
3K3E
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![BU of 3k3e by Molmil](/molmil-images/mine/3k3e) | Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691 | Descriptor: | 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, ... | Authors: | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | Deposit date: | 2009-10-02 | Release date: | 2010-02-16 | Last modified: | 2013-11-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis J.Med.Chem., 53, 2010
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3HQZ
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![BU of 3hqz by Molmil](/molmil-images/mine/3hqz) | Discovery of novel inhibitors of PDE10A | Descriptor: | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2009-06-08 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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3HMV
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![BU of 3hmv by Molmil](/molmil-images/mine/3hmv) | Catalytic domain of human phosphodiesterase 4B2B in complex with a tetrahydrobenzothiophene inhibitor | Descriptor: | (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLYCEROL, MAGNESIUM ION, ... | Authors: | Somers, D.O, Neu, M. | Deposit date: | 2009-05-29 | Release date: | 2010-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode Bioorg.Med.Chem., 17, 2009
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3K3H
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![BU of 3k3h by Molmil](/molmil-images/mine/3k3h) | Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691 | Descriptor: | 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, ... | Authors: | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | Deposit date: | 2009-10-02 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis J.Med.Chem., 53, 2010
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3HQW
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![BU of 3hqw by Molmil](/molmil-images/mine/3hqw) | Discovery of novel inhibitors of PDE10A | Descriptor: | 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2009-06-08 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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3JSI
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![BU of 3jsi by Molmil](/molmil-images/mine/3jsi) | Human phosphodiesterase 9 in complex with inhibitor | Descriptor: | 6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2009-09-10 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
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3HR1
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![BU of 3hr1 by Molmil](/molmil-images/mine/3hr1) | Discovery of novel inhibitors of PDE10A | Descriptor: | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2009-06-08 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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3K4S
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![BU of 3k4s by Molmil](/molmil-images/mine/3k4s) | The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone | Descriptor: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M. | Deposit date: | 2009-10-06 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone To be Published
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3GWT
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![BU of 3gwt by Molmil](/molmil-images/mine/3gwt) | |
3JWQ
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![BU of 3jwq by Molmil](/molmil-images/mine/3jwq) | Crystal structure of chimeric PDE5/PDE6 catalytic domain complexed with sildenafil | Descriptor: | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, ZINC ION, ... | Authors: | Barren, B, Gakhar, L, Muradov, H, Boyd, K.K, Ramaswamy, S, Artemyev, N.O. | Deposit date: | 2009-09-18 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structural basis of phosphodiesterase 6 inhibition by the C-terminal region of the gamma-subunit Embo J., 28, 2009
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3JSW
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![BU of 3jsw by Molmil](/molmil-images/mine/3jsw) | Human PDE9 in complex with selective inhibitor | Descriptor: | 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2009-09-11 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
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3JWR
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![BU of 3jwr by Molmil](/molmil-images/mine/3jwr) | Crystal structure of chimeric PDE5/PDE6 catalytic domain complexed with 3-isobutyl-1-methylxanthine (IBMX) and PDE6 gamma-subunit inhibitory peptide 70-87. | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ... | Authors: | Barren, B, Gakhar, L, Muradov, H, Boyd, K.K, Ramaswamy, S, Artemyev, N.O. | Deposit date: | 2009-09-18 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | Structural basis of phosphodiesterase 6 inhibition by the C-terminal region of the gamma-subunit Embo J., 28, 2009
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3KKT
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![BU of 3kkt by Molmil](/molmil-images/mine/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. | Descriptor: | 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, ... | Authors: | Cheng, R.K.Y, Crawley, L, Barker, J, Whittaker, M. | Deposit date: | 2009-11-06 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | 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
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1XOT
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![BU of 1xot by Molmil](/molmil-images/mine/1xot) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Vardenafil | Descriptor: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, MAGNESIUM ION, ZINC ION, ... | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-10-06 | Release date: | 2004-12-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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6FDX
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![BU of 6fdx by Molmil](/molmil-images/mine/6fdx) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1086 | Descriptor: | (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, FORMIC ACID, GUANIDINE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-27 | Release date: | 2019-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-1086 To be published
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1XMU
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![BU of 1xmu by Molmil](/molmil-images/mine/1xmu) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Roflumilast | Descriptor: | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ZINC ION, ... | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-10-04 | Release date: | 2004-12-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XOQ
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![BU of 1xoq by Molmil](/molmil-images/mine/1xoq) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast | Descriptor: | 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ... | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-10-06 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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6F8W
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![BU of 6f8w by Molmil](/molmil-images/mine/6f8w) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-18a | Descriptor: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | Deposit date: | 2017-12-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds. Biochemistry, 57, 2018
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6FEB
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![BU of 6feb by Molmil](/molmil-images/mine/6feb) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1086 | Descriptor: | (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-31 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-1086 To be published
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1XMY
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![BU of 1xmy by Molmil](/molmil-images/mine/1xmy) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Rolipram | Descriptor: | MAGNESIUM ION, ROLIPRAM, ZINC ION, ... | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-10-04 | Release date: | 2004-12-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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6F6U
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![BU of 6f6u by Molmil](/molmil-images/mine/6f6u) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-7b | Descriptor: | 2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, GLYCEROL, MAGNESIUM ION, ... | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | Deposit date: | 2017-12-06 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds. Biochemistry, 57, 2018
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6F8T
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![BU of 6f8t by Molmil](/molmil-images/mine/6f8t) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-4a | Descriptor: | (2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol, MAGNESIUM ION, ZINC ION, ... | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | Deposit date: | 2017-12-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds. Biochemistry, 57, 2018
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