6FRD
 
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6FW3
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-007 | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-03-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | hPDE4D2 structure with inhibitor NPD-007
To be published
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6FV9
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-007 | | Descriptor: | 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-03-01 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | TbrPDEB1 structure with inhibitor NPD-007
To be published
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6FT0
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-425 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-02-20 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | hPDE4D2 structure with inhibitor NPD-425
To be published
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6FTW
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048 | | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-02-24 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors.
Bioorg.Med.Chem., 27, 2019
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6FTA
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-3098 | | Descriptor: | (4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-02-20 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | hPDE4D2 structure with inhibitor NPD-3098
To be published
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6GXQ
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335 | | Descriptor: | 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, GLYCEROL, GUANIDINE, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-06-27 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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3G3N
 | | PDE7A catalytic domain in complex with 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one | | Descriptor: | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | | Authors: | Castano, T, Wang, H. | | Deposit date: | 2009-02-02 | | Release date: | 2009-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors
Chemmedchem, 4, 2009
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3FRG
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1TB5
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ZINC 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: | 2004-05-19 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
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1TB7
 | | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With AMP | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, ... | | 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: | 2004-05-19 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
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3G4L
 | | Crystal structure of human phosphodiesterase 4d with roflumilast | | Descriptor: | 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ... | | Authors: | Staker, B.L. | | Deposit date: | 2009-02-03 | | Release date: | 2010-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
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3G58
 | | Crystal structure of human phosphodiesterase 4d with d155988/pmnpq | | Descriptor: | 1,2-ETHANEDIOL, 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline, MAGNESIUM ION, ... | | Authors: | Staker, B.L. | | Deposit date: | 2009-02-04 | | Release date: | 2010-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
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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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3G4I
 | | Crystal structure of human phosphodiesterase 4d with d155871 | | Descriptor: | 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, ETHANOL, MAGNESIUM ION, ... | | Authors: | Staker, B.L. | | Deposit date: | 2009-02-03 | | Release date: | 2010-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
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3G4K
 | | Crystal structure of human phosphodiesterase 4d with rolipram | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, ROLIPRAM, ... | | Authors: | Staker, B.L. | | Deposit date: | 2009-02-03 | | Release date: | 2010-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
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1T9R
 | | Catalytic Domain Of Human Phosphodiesterase 5A | | Descriptor: | CITRIC ACID, PHOSPHATE ION, ZINC 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: | 2004-05-18 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
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1T9S
 | | Catalytic Domain Of Human Phosphodiesterase 5A in Complex with GMP | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ZINC 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: | 2004-05-18 | | Release date: | 2004-08-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
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1TBB
 | | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Rolipram | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, ROLIPRAM, ... | | 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: | 2004-05-19 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
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1TAZ
 | | Catalytic Domain Of Human Phosphodiesterase 1B | | Descriptor: | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ZINC 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: | 2004-05-19 | | Release date: | 2004-08-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
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3GWT
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1UDT
 | | Crystal structure of Human Phosphodiesterase 5 complexed with Sildenafil(Viagra) | | 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: | Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S. | | Deposit date: | 2003-05-06 | | Release date: | 2004-05-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
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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: | 2023-07-26 | | 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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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: | 2023-07-26 | | 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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1UDU
 | | Crystal structure of Human Phosphodiesterase 5 complexed with tadalafil(Cialis) | | 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: | Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S. | | Deposit date: | 2003-05-06 | | Release date: | 2004-05-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
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