3SL3
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![BU of 3sl3 by Molmil](/molmil-images/mine/3sl3) | Crystal structure of the apo form of the catalytic domain of PDE4D2 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Feil, S.F. | Deposit date: | 2011-06-24 | Release date: | 2011-10-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2. Bioorg.Med.Chem.Lett., 21, 2011
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3SIE
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![BU of 3sie by Molmil](/molmil-images/mine/3sie) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 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
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3SHZ
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![BU of 3shz by Molmil](/molmil-images/mine/3shz) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | 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
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3SHY
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![BU of 3shy by Molmil](/molmil-images/mine/3shy) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | 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
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3QPP
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![BU of 3qpp by Molmil](/molmil-images/mine/3qpp) | Structure of PDE10-inhibitor complex | Descriptor: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2011-02-14 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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3QPO
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![BU of 3qpo by Molmil](/molmil-images/mine/3qpo) | Structure of PDE10-inhibitor complex | Descriptor: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2011-02-14 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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3QPN
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![BU of 3qpn by Molmil](/molmil-images/mine/3qpn) | Structure of PDE10-inhibitor complex | Descriptor: | 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2011-02-14 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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3QI4
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![BU of 3qi4 by Molmil](/molmil-images/mine/3qi4) | Crystal structure of PDE9A(Q453E) in complex with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. | Deposit date: | 2011-01-26 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
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3QI3
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![BU of 3qi3 by Molmil](/molmil-images/mine/3qi3) | Crystal structure of PDE9A(Q453E) in complex with inhibitor 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: | Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. | Deposit date: | 2011-01-26 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
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3O57
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![BU of 3o57 by Molmil](/molmil-images/mine/3o57) | Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor | Descriptor: | 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, ... | Authors: | Somers, D.O, Neu, M. | Deposit date: | 2010-07-28 | Release date: | 2011-08-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR. Bioorg.Med.Chem.Lett., 20, 2010
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3O56
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![BU of 3o56 by Molmil](/molmil-images/mine/3o56) | Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor | Descriptor: | 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, ... | Authors: | Somers, D.O, Neu, M. | Deposit date: | 2010-07-28 | Release date: | 2011-08-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR. Bioorg.Med.Chem.Lett., 20, 2010
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3O0J
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![BU of 3o0j by Molmil](/molmil-images/mine/3o0j) | PDE4B In complex with ligand an2898 | Descriptor: | 1,2-ETHANEDIOL, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile, MAGNESIUM ION, ... | Authors: | Alley, M.R.K, Zhou, Y. | Deposit date: | 2010-07-19 | Release date: | 2011-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. Febs Lett., 586, 2012
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3N3Z
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![BU of 3n3z by Molmil](/molmil-images/mine/3n3z) | Crystal structure of PDE9A (E406A) mutant in complex with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CHLORIDE ION, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | Authors: | Hou, J, Luo, H.-B, Chen, Y, Xu, J, Zhao, R, Zou, L. | Deposit date: | 2010-05-21 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of PDE9A (E406A) mutation in complex with IBMX To be Published
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3LY2
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![BU of 3ly2 by Molmil](/molmil-images/mine/3ly2) | Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor | Descriptor: | 8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one, MAGNESIUM ION, SULFATE ION, ... | Authors: | Shiau, A.K, Coyle, A.R, Hsien, J.H, Staszewski, L.M. | Deposit date: | 2010-02-26 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Water-soluble PDE4 inhibitors for the treatment of dry eye. Bioorg.Med.Chem.Lett., 20, 2010
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3LXG
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![BU of 3lxg by Molmil](/molmil-images/mine/3lxg) | Crystal structure of rat phosphodiesterase 10A in complex with ligand WEB-3 | Descriptor: | 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine, MAGNESIUM ION, ZINC ION, ... | Authors: | Mosbacher, T, Jestel, A, Steinbacher, S. | Deposit date: | 2010-02-25 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors. J.Med.Chem., 53, 2010
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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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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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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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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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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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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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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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3JBQ
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![BU of 3jbq by Molmil](/molmil-images/mine/3jbq) | Domain Organization and Conformational Plasticity of the G Protein Effector, PDE6 | Descriptor: | GafA domain of cone phosphodiesterase 6C, GafB domain of phosphodiesterase 2A, IgG1-kappa 2E8 heavy chain, ... | Authors: | Zhang, Z, He, F, Constantine, R, Baker, M.L, Baehr, W, Schmid, M.F, Wensel, T.G, Agosto, M.A. | Deposit date: | 2015-09-17 | Release date: | 2015-09-30 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Domain Organization and Conformational Plasticity of the G Protein Effector, PDE6. J.Biol.Chem., 290, 2015
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3JAB
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![BU of 3jab by Molmil](/molmil-images/mine/3jab) | Domain organization and conformational plasticity of the G protein effector, PDE6 | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, GafA domain of cone phosphodiesterase 6C, GafB domain of phosphodiesterase 2A, ... | Authors: | Zhang, Z, He, F, Constantine, R, Baker, M.L, Baehr, W, Schmid, M.F, Wensel, T.G, Agosto, M.A. | Deposit date: | 2015-05-26 | Release date: | 2015-06-10 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Domain Organization and Conformational Plasticity of the G Protein Effector, PDE6. J.Biol.Chem., 290, 2015
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