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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3ITM
| Catalytic domain of hPDE2A | Descriptor: | ZINC ION, cGMP-dependent 3',5'-cyclic phosphodiesterase | Authors: | Pandit, J. | Deposit date: | 2009-08-28 | Release date: | 2009-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.49 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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3IBJ
| X-ray structure of PDE2A | Descriptor: | MAGNESIUM ION, ZINC ION, cGMP-dependent 3',5'-cyclic phosphodiesterase | Authors: | Pandit, J. | Deposit date: | 2009-07-16 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.02 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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3IAK
| Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, MAGNESIUM ION, ZINC ION, ... | Authors: | Cheng, R.K.Y, Crawley, L, Barker, J, Wood, M, Felicetti, B, Whittaker, M. | Deposit date: | 2009-07-14 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. To be Published
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3IAD
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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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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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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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3HQY
| Discovery of novel inhibitors of PDE10A | Descriptor: | 2-({4-[4-(pyridin-4-ylmethyl)-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 (2 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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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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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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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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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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3GWT
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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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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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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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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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3G4G
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3G45
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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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3ECN
| Crystal structure of PDE8A catalytic domain in complex with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | Authors: | Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. | Deposit date: | 2008-09-01 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
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3ECM
| Crystal structure of the unliganded PDE8A catalytic domain | Descriptor: | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ZINC ION | Authors: | Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. | Deposit date: | 2008-09-01 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
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3DYS
| human phosphodiestrase-5'GMP complex (EP), produced by soaking with 20mM cGMP+20 mM MnCl2+20 mM MgCl2 for 2 hours, and flash-cooled to liquid nitrogen temperature when substrate was still abudant. | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | Deposit date: | 2008-07-28 | Release date: | 2008-09-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9. Proc.Natl.Acad.Sci.Usa, 105, 2008
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