1TBF
 
 | | Catalytic Domain Of Human Phosphodiesterase 5A in Complex 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, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | | Deposit date: | 2004-05-20 | | Release date: | 2004-08-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
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1XOZ
 | | Catalytic Domain Of Human Phosphodiesterase 5A In Complex With Tadalafil | | Descriptor: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, 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: | 2004-10-07 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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5JO3
 | | PDE5A for NaV1.7 | | Descriptor: | 1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase | | Authors: | Storer, I, Chrencik, J. | | Deposit date: | 2016-05-01 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | PDE5A for NaV1.7
To be published
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4KP6
 | | Crystal structure of human phosphodiesterase 4B (PDE4B) in complex with a [1,3,5]triazine derivative | | Descriptor: | 1,2-ETHANEDIOL, 2-ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile, MAGNESIUM ION, ... | | Authors: | Gewald, R, Grunwald, C, Egerland, U. | | Deposit date: | 2013-05-13 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of triazines as potent, selective and orally active PDE4 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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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: | 2024-05-01 | | 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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5OHJ
 | | Human phosphodiesterase 4B catalytic domain in complex with a pyrrolidinyl inhibitor. | | Descriptor: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate, ... | | Authors: | Rizzi, A, Carzaniga, L, Armani, E. | | Deposit date: | 2017-07-17 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Optimization of Thiazolidinyl and Pyrrolidinyl Derivatives as Inhaled PDE4 Inhibitors for Respiratory Diseases.
J. Med. Chem., 60, 2017
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6BOJ
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN5004 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide, CHLORIDE ION, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2017-11-20 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice.
Neuropsychopharmacology, 43, 2018
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3FRG
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3D3P
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3GWT
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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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3HC8
 | | Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. | | Descriptor: | 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Hughes, R.O, Stallings, W.C, Cubbage, J.W, Williams, J.M. | | Deposit date: | 2009-05-05 | | Release date: | 2009-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system.
Bioorg.Med.Chem.Lett., 19, 2009
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1XP0
 | | Catalytic Domain Of Human Phosphodiesterase 5A 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: | 2004-10-07 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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3HDZ
 | | Identification, Synthesis, and SAR of Amino Substituted Pyrido[3,2b]pryaziones as Potent and Selective PDE5 Inhibitors | | Descriptor: | 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Cubbage, J.W, Brown, D.G, Jacobsen, E.J, Walker, J.K, Hughes, R.O. | | Deposit date: | 2009-05-07 | | Release date: | 2009-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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2H44
 | | Crystal structure of PDE5A1 in complex with icarisid II | | Descriptor: | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wang, H, Ke, H. | | Deposit date: | 2006-05-23 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
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8W4S
 | | Crystal structure of PDE5A in complex with CVT-313 | | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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2H40
 | | Crystal structure of the catalytic domain of unliganded PDE5 | | Descriptor: | MAGNESIUM ION, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase | | Authors: | Wang, H, Liu, Y, Huai, Q, Cai, J, Zoraghi, R, Francis, S.H, Corbin, J.D, Robinson, H, Xin, Z, Lin, G, Ke, H. | | Deposit date: | 2006-05-23 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
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5K6J
 | | Human Phospodiesterase 4B in complex with pyridyloxy-benzoxaborole based inhibitor | | Descriptor: | 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, ... | | Authors: | Rock, F.L, Zhou, Y, Sullivan, D. | | Deposit date: | 2016-05-24 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | To be published
To Be Published
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8OEG
 | | PDE4B bound to MAPI compound 92a | | Descriptor: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ... | | Authors: | Rizzi, A, Armani, E. | | Deposit date: | 2023-03-10 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023
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4MYQ
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3TGG
 | | A novel series of potent and selective PDE5 inhibitor2 | | Descriptor: | 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, ... | | Authors: | Han, S. | | Deposit date: | 2011-08-17 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region.
Bioorg.Med.Chem.Lett., 21, 2011
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6L6E
 | | Human PDE5 catalytic core in complex with avanafil | | Descriptor: | 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, ... | | Authors: | Hsieh, C.M, Chan, N.L. | | Deposit date: | 2019-10-28 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | 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
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1XM6
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Mesopram | | Descriptor: | (5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-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: | 2004-10-01 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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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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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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