Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1TBF
DownloadVisualize
BU of 1tbf by Molmil
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
1Y2K
DownloadVisualize
BU of 1y2k by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1-(3-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
Descriptor: 1,2-ETHANEDIOL, 3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ...
Authors:Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-11-22
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
Nat.Biotechnol., 23, 2005
1XOZ
DownloadVisualize
BU of 1xoz by Molmil
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
8W4R
DownloadVisualize
BU of 8w4r by Molmil
Crystal structure of PDE4D complexed with CVT-313
Descriptor: 1,2-ETHANEDIOL, 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM 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 (1.37 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
1Y2B
DownloadVisualize
BU of 1y2b by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
Descriptor: 1,2-ETHANEDIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ...
Authors:Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-11-22
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
Nat.Biotechnol., 23, 2005
5U00
DownloadVisualize
BU of 5u00 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluoro-3-iodophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
Descriptor: MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2016-11-22
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
6C7E
DownloadVisualize
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
6FDC
DownloadVisualize
BU of 6fdc by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-32a
Descriptor: (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, (2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, 1,2-ETHANEDIOL, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-22
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6LRM
DownloadVisualize
BU of 6lrm by Molmil
Crystal structure of PDE4D catalytic domain in complex with arctigenin
Descriptor: 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ...
Authors:Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2020-01-16
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation.
J Adv Res, 33, 2021
6IMI
DownloadVisualize
BU of 6imi by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X, Su, H, Xu, Y.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMT
DownloadVisualize
BU of 6imt by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
5JO3
DownloadVisualize
BU of 5jo3 by Molmil
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
6IMD
DownloadVisualize
BU of 6imd by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X, Su, H, Xu, Y.
Deposit date:2018-10-22
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6EZF
DownloadVisualize
BU of 6ezf by Molmil
PDE2 in complex with molecule 5
Descriptor: 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol, GLYCEROL, MAGNESIUM ION, ...
Authors:Tresadern, G, Perez-Benito, L, Keraenen, H, van Vlijmen, H.
Deposit date:2017-11-15
Release date:2018-04-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation.
Sci Rep, 8, 2018
2R8Q
DownloadVisualize
BU of 2r8q by Molmil
Structure of LmjPDEB1 in complex with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, Class I phosphodiesterase PDEB1, MAGNESIUM ION, ...
Authors:Wang, H, Yan, Z, Geng, J, Kunz, S, Seebeck, T, Ke, H.
Deposit date:2007-09-11
Release date:2007-12-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the Leishmania major phosphodiesterase LmjPDEB1 and insight into the design of the parasite-selective inhibitors.
Mol.Microbiol., 66, 2007
7CBJ
DownloadVisualize
BU of 7cbj by Molmil
Crystal structure of PDE4D catalytic domain in complex with compound 36
Descriptor: (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2020-06-12
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
7B9H
DownloadVisualize
BU of 7b9h by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a
Descriptor: 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ...
Authors:Torretta, A, Abbate, S, Parisini, E.
Deposit date:2020-12-14
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
4KP6
DownloadVisualize
BU of 4kp6 by Molmil
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
6IMR
DownloadVisualize
BU of 6imr by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
3HR1
DownloadVisualize
BU of 3hr1 by Molmil
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
6CYC
DownloadVisualize
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
7YQF
DownloadVisualize
BU of 7yqf by Molmil
Crystal structure of PDE4D complexed with glycyrrhisoflavone
Descriptor: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2022-08-06
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
1XOR
DownloadVisualize
BU of 1xor by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Zardaverine
Descriptor: 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-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:2004-10-06
Release date:2004-12-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
6IMB
DownloadVisualize
BU of 6imb by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X, Su, H, Xu, Y.
Deposit date:2018-10-22
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
8WDN
DownloadVisualize
BU of 8wdn by Molmil
Crystal structure of PDE4D complexed with 7b-1
Descriptor: 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-09-15
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model.
J.Med.Chem., 67, 2024

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon