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7ABD
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BU of 7abd by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-768
Descriptor: 1,2-ETHANEDIOL, 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-09-07
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:hPDE4D2 structure with inhibitor NPD-768
To be published
3DYS
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BU of 3dys by Molmil
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
7A8Q
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BU of 7a8q by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-654
Descriptor: 1,2-ETHANEDIOL, 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-08-30
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:hPDE4D2 structure with inhibitor NPD-654
To be published
7A9V
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BU of 7a9v by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-635
Descriptor: 1,2-ETHANEDIOL, 1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-09-02
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:hPDE4D2 structure with inhibitor NPD-635
To be published
7AB9
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BU of 7ab9 by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-656
Descriptor: 1,2-ETHANEDIOL, 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-09-07
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:hPDE4D2 structure with inhibitor NPD-656
To be published
7ABJ
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BU of 7abj by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1361
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-09-07
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:hPDE4D2 structure with inhibitor NPD-1361
To be published
7AAG
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BU of 7aag by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-617
Descriptor: 1,2-ETHANEDIOL, 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-09-04
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:hPDE4D2 structure with inhibitor NPD-617
To be published
7ABE
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BU of 7abe by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-769
Descriptor: 1,2-ETHANEDIOL, 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-09-07
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:hPDE4D2 structure with inhibitor NPD-769
To be published
3DYQ
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BU of 3dyq by Molmil
human phosphodiestrase 9 (inhibited by omitting divalent cation) in complex with cGMP
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ...
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:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3D3P
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BU of 3d3p by Molmil
Crystal structure of PDE4B catalytic domain in complex with a pyrazolopyridine inhibitor
Descriptor: 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, ARSENIC, MAGNESIUM ION, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2008-05-12
Release date:2009-05-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Pyrazolopyridines as a novel structural class of potent and selective PDE4 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3ECN
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BU of 3ecn by Molmil
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
3G3N
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BU of 3g3n by Molmil
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
3FRG
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BU of 3frg by Molmil
Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with a Quinoline Inhibitor
Descriptor: 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
Bioorg.Med.Chem.Lett., 19, 2009
6CPU
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BU of 6cpu by Molmil
Crystal structure of yeast caPDE2
Descriptor: MAGNESIUM ION, Phosphodiesterase, ZINC ION
Authors:Ke, H, Wang, y.
Deposit date:2018-03-14
Release date:2019-02-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018
6CYC
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BU of 6cyc by Molmil
PDE2 in complex with compound 5
Descriptor: 1,2-ETHANEDIOL, 3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ...
Authors:Lu, J.
Deposit date:2018-04-05
Release date:2018-09-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor.
ACS Med Chem Lett, 9, 2018
6CYB
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BU of 6cyb by Molmil
PDE2 in complex with compound 7
Descriptor: 1,2-ETHANEDIOL, 3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ...
Authors:Lu, J.
Deposit date:2018-04-05
Release date:2018-09-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor.
ACS Med Chem Lett, 9, 2018
6CYD
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BU of 6cyd by Molmil
PDE2 in complex with compound 7
Descriptor: 1,2-ETHANEDIOL, 3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, MAGNESIUM ION, ...
Authors:Lu, J.
Deposit date:2018-04-05
Release date:2018-09-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor.
ACS Med Chem Lett, 9, 2018
6C7D
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BU of 6c7d by Molmil
Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Descriptor: 1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2018-01-22
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
J. Med. Chem., 61, 2018
6C7G
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BU of 6c7g by Molmil
Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chloro-5-isobutoxy-phenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Descriptor: 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2018-01-22
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
J. Med. Chem., 61, 2018
6C7F
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BU of 6c7f by Molmil
Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-isobutoxy-phenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Descriptor: 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2018-01-22
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
J. Med. Chem., 61, 2018
6CPT
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BU of 6cpt by Molmil
crystal structure of yeast caPDE2 in complex with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ...
Authors:Ke, h, Wang, Y.
Deposit date:2018-03-14
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018
6C7E
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BU of 6c7e by Molmil
Crystal structure of human phosphodiesterase 2A with 1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Descriptor: 1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2018-01-22
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
J. Med. Chem., 61, 2018
6C7I
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BU of 6c7i by Molmil
Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-methoxy-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Descriptor: 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2018-01-22
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.713 Å)
Cite:Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
J. Med. Chem., 61, 2018
6C7J
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BU of 6c7j by Molmil
Crystal structure of human phosphodiesterase 2A with 1-(5-tert-butoxy-2-chloro-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Descriptor: 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2018-01-22
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
J. Med. Chem., 61, 2018
6BLF
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BU of 6blf by Molmil
PDE2 complexed with 2-[6-fluoro-8-methylsulfonyl-9-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
Descriptor: MAGNESIUM ION, ZINC ION, [(1S)-6-fluoro-8-(methylsulfonyl)-9-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid, ...
Authors:Su, H.P.
Deposit date:2017-11-10
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Hydrolase complex
To Be Published

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