1Y2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y2k by Molmil](/molmil-images/mine/1y2k) | 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
|
|
8W4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w4r by Molmil](/molmil-images/mine/8w4r) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y2b by Molmil](/molmil-images/mine/1y2b) | 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
|
|
6LRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lrm by Molmil](/molmil-images/mine/6lrm) | 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
|
|
6FDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fdc by Molmil](/molmil-images/mine/6fdc) | 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
|
|
6IMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6imi by Molmil](/molmil-images/mine/6imi) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6imt by Molmil](/molmil-images/mine/6imt) | 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
|
|
6IMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6imd by Molmil](/molmil-images/mine/6imd) | 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
|
|
7CBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cbj by Molmil](/molmil-images/mine/7cbj) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b9h by Molmil](/molmil-images/mine/7b9h) | 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
|
|
6IMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6imr by Molmil](/molmil-images/mine/6imr) | 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
|
|
7YQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yqf by Molmil](/molmil-images/mine/7yqf) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xor by Molmil](/molmil-images/mine/1xor) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6imb by Molmil](/molmil-images/mine/6imb) | 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
|
|
8W4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w4q by Molmil](/molmil-images/mine/8w4q) | Crystal structure of PDE4D complexed with CX-4945 | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, 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 (1.55 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
|
|
6IMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6imo by Molmil](/molmil-images/mine/6imo) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[(1H-indol-3-yl)methyl]-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: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 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
|
|
1XOM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xom by Molmil](/molmil-images/mine/1xom) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Cilomilast | Descriptor: | 1,2-ETHANEDIOL, CILOMILAST, MAGNESIUM 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 (1.55 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
|
|
2PW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pw3 by Molmil](/molmil-images/mine/2pw3) | Structure of the PDE4D-cAMP complex | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | Authors: | Wang, H, Robinson, H, Ke, H. | Deposit date: | 2007-05-10 | Release date: | 2007-10-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The molecular basis for different recognition of substrates by phosphodiesterase families 4 and 10. J.Mol.Biol., 371, 2007
|
|
2QYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qyn by Molmil](/molmil-images/mine/2qyn) | Crystal structure of PDE4D2 in complex with inhibitor NPV | Descriptor: | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, MAGNESIUM ION, ZINC ION, ... | Authors: | Ke, H. | Deposit date: | 2007-08-15 | Release date: | 2008-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors. Biochem.J., 408, 2007
|
|
7CBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cbq by Molmil](/molmil-images/mine/7cbq) | Crystal structure of PDE4D catalytic domain in complex with Apremilast | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2020-06-13 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur.J.Med.Chem., 211, 2021
|
|
1TBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tbb by Molmil](/molmil-images/mine/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
|
|
6ZBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zba by Molmil](/molmil-images/mine/6zba) | Crystal structure of PDE4D2 in complex with inhibitor LEO39652 | Descriptor: | 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ... | Authors: | Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. | Deposit date: | 2020-06-08 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis. J.Med.Chem., 63, 2020
|
|
5WH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wh6 by Molmil](/molmil-images/mine/5wh6) | Crystal structure of PDE4D2 in complex with inhibitor (S_Zl-n-91) | Descriptor: | 1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Ke, H, Wang, H. | Deposit date: | 2017-07-14 | Release date: | 2018-07-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors. Biochemistry, 57, 2018
|
|
6F8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f8w by Molmil](/molmil-images/mine/6f8w) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-18a | Descriptor: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | Deposit date: | 2017-12-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds. Biochemistry, 57, 2018
|
|
1TB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tb7 by Molmil](/molmil-images/mine/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
|
|