5WH5
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![BU of 5wh5 by Molmil](/molmil-images/mine/5wh5) | |
4W1O
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![BU of 4w1o by Molmil](/molmil-images/mine/4w1o) | PDE4D complexed with inhibitor | 分子名称: | N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 著者 | Sorensen, M.D. | 登録日 | 2014-08-14 | 公開日 | 2014-11-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis J.Med.Chem, 57, 2014
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1F0J
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![BU of 1f0j by Molmil](/molmil-images/mine/1f0j) | CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B | 分子名称: | ARSENIC, MAGNESIUM ION, PHOSPHODIESTERASE 4B, ... | 著者 | Xu, R.X, Hassell, A.M, Vanderwall, D, Lambert, M.H, Holmes, W.D, Luther, M.A, Rocque, W.J, Milburn, M.V, Zhao, Y, Ke, H, Nolte, R.T. | 登録日 | 2000-05-16 | 公開日 | 2000-07-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity. Science, 288, 2000
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2R8Q
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![BU of 2r8q by Molmil](/molmil-images/mine/2r8q) | Structure of LmjPDEB1 in complex with IBMX | 分子名称: | 3-ISOBUTYL-1-METHYLXANTHINE, Class I phosphodiesterase PDEB1, MAGNESIUM ION, ... | 著者 | Wang, H, Yan, Z, Geng, J, Kunz, S, Seebeck, T, Ke, H. | 登録日 | 2007-09-11 | 公開日 | 2007-12-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of the Leishmania major phosphodiesterase LmjPDEB1 and insight into the design of the parasite-selective inhibitors. Mol.Microbiol., 66, 2007
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3TVX
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![BU of 3tvx by Molmil](/molmil-images/mine/3tvx) | The structure of PDE4A with pentoxifylline at 2.84A resolution | 分子名称: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, MAGNESIUM ION, SULFATE ION, ... | 著者 | Badger, J, Sridhar, V. | 登録日 | 2011-09-20 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Fragment-Based Screening for Inhibitors of PDE4A Using Enthalpy Arrays and X-ray Crystallography. J Biomol Screen, 17, 2012
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6L6E
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![BU of 6l6e by Molmil](/molmil-images/mine/6l6e) | Human PDE5 catalytic core in complex with avanafil | 分子名称: | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, MAGNESIUM ION, SULFATE ION, ... | 著者 | Hsieh, C.M, Chan, N.L. | 登録日 | 2019-10-28 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding. J.Med.Chem., 63, 2020
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4NPW
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![BU of 4npw by Molmil](/molmil-images/mine/4npw) | Crystal structure of human PDE1B bound to inhibitor 19A (7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine) | 分子名称: | 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | 著者 | Pandit, J, Evdomikov, A, Mansour, M, Simons, S. | 登録日 | 2013-11-22 | 公開日 | 2014-07-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1 MEDCHEMCOMM, 2014
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4Y2B
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![BU of 4y2b by Molmil](/molmil-images/mine/4y2b) | Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A | 分子名称: | 3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | 著者 | Endo, Y, Kawai, K, Asano, T, Amano, S, Asanuma, Y, Sawada, K, Onodera, Y, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Irie, T. | 登録日 | 2015-02-09 | 公開日 | 2015-04-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy Bioorg.Med.Chem.Lett., 25, 2015
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6VBI
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![BU of 6vbi by Molmil](/molmil-images/mine/6vbi) | crystal structure of PDE5 in complex with a non-competitive inhibitor | 分子名称: | (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | 著者 | Ke, H, Luo, H.B. | 登録日 | 2019-12-18 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.30000758 Å) | 主引用文献 | Identification of a novel allosteric pocket and its regulation mechanism To Be Published
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4WCU
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![BU of 4wcu by Molmil](/molmil-images/mine/4wcu) | PDE4 complexed with inhibitor | 分子名称: | MAGNESIUM ION, N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide, ZINC ION, ... | 著者 | Sorensen, M.D. | 登録日 | 2014-09-05 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis. J. Med. Chem., 57, 2014
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1MKD
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![BU of 1mkd by Molmil](/molmil-images/mine/1mkd) | crystal structure of PDE4D catalytic domain and zardaverine complex | 分子名称: | 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE, MAGNESIUM ION, Phosphodiesterase 4D, ... | 著者 | Lee, M.E, Markowitz, J, Lee, J.-O, Lee, H. | 登録日 | 2002-08-29 | 公開日 | 2003-03-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of phosphodiesterase 4D and inhibitor complex FEBS LETT., 530, 2002
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8W4S
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![BU of 8w4s by Molmil](/molmil-images/mine/8w4s) | Crystal structure of PDE5A in complex with CVT-313 | 分子名称: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | 登録日 | 2023-08-24 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.848 Å) | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4T
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![BU of 8w4t by Molmil](/molmil-images/mine/8w4t) | Crystal structure of PDE5A in complex with a novel inhibitor | 分子名称: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | 登録日 | 2023-08-24 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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6RFW
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![BU of 6rfw by Molmil](/molmil-images/mine/6rfw) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1039 | 分子名称: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2019-04-16 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.183 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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6RGK
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![BU of 6rgk by Molmil](/molmil-images/mine/6rgk) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055 | 分子名称: | 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2019-04-16 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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6QGU
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![BU of 6qgu by Molmil](/molmil-images/mine/6qgu) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361 | 分子名称: | 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G. | 登録日 | 2019-01-13 | 公開日 | 2020-02-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361 To be published
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6ZBA
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![BU of 6zba by Molmil](/molmil-images/mine/6zba) | Crystal structure of PDE4D2 in complex with inhibitor LEO39652 | 分子名称: | 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, ... | 著者 | Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. | 登録日 | 2020-06-08 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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
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6QGP
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![BU of 6qgp by Molmil](/molmil-images/mine/6qgp) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769 | 分子名称: | 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | 著者 | Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G. | 登録日 | 2019-01-12 | 公開日 | 2020-02-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.942 Å) | 主引用文献 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769 To be published
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2QYM
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![BU of 2qym by Molmil](/molmil-images/mine/2qym) | crystal structure of unliganded PDE4C2 | 分子名称: | MAGNESIUM ION, Phosphodiesterase 4C, ZINC ION | 著者 | Ke, H. | 登録日 | 2007-08-15 | 公開日 | 2008-04-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors. Biochem.J., 408, 2007
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7YSX
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![BU of 7ysx by Molmil](/molmil-images/mine/7ysx) | Crystal structure of PDE4D complexed with licoisoflavone A | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | 登録日 | 2022-08-13 | 公開日 | 2023-07-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19. Proc.Natl.Acad.Sci.USA, 120, 2023
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7YQF
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![BU of 7yqf by Molmil](/molmil-images/mine/7yqf) | Crystal structure of PDE4D complexed with glycyrrhisoflavone | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | 登録日 | 2022-08-06 | 公開日 | 2023-07-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19. Proc.Natl.Acad.Sci.USA, 120, 2023
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6RB6
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![BU of 6rb6 by Molmil](/molmil-images/mine/6rb6) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053 | 分子名称: | 1,2-ETHANEDIOL, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, FORMIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2019-04-09 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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6RCW
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![BU of 6rcw by Molmil](/molmil-images/mine/6rcw) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053 | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2019-04-11 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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2QYK
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![BU of 2qyk by Molmil](/molmil-images/mine/2qyk) | Crystal structure of PDE4A10 in complex with inhibitor NPV | 分子名称: | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, Cyclic AMP-specific phosphodiesterase HSPDE4A10, MAGNESIUM ION, ... | 著者 | Wang, H, Peng, M, Chen, Y, Geng, J, Robinson, H, Houslay, M. | 登録日 | 2007-08-15 | 公開日 | 2008-04-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors. Biochem.J., 408, 2007
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1OYN
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![BU of 1oyn by Molmil](/molmil-images/mine/1oyn) | Crystal structure of PDE4D2 in complex with (R,S)-rolipram | 分子名称: | ROLIPRAM, ZINC ION, cAMP-specific phosphodiesterase PDE4D2 | 著者 | Huai, Q, Wang, H, Sun, Y, Kim, H.Y, Liu, Y, Ke, H. | 登録日 | 2003-04-05 | 公開日 | 2003-07-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Three-dimensional structures of PDE4D in complex with roliprams and implication on inhibitor selectivity Structure, 11, 2003
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