8wdn

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'''Unreleased structure'''
 
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The entry 8wdn is ON HOLD until Paper Publication
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==Crystal structure of PDE4D complexed with 7b-1==
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<StructureSection load='8wdn' size='340' side='right'caption='[[8wdn]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[8wdn]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8WDN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8WDN FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.55&#8491;</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=8wdn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8wdn OCA], [https://pdbe.org/8wdn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8wdn RCSB], [https://www.ebi.ac.uk/pdbsum/8wdn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8wdn ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/PDE4D_HUMAN PDE4D_HUMAN] Note=Genetic variations in PDE4D might be associated with susceptibility to stroke. PubMed:17006457 states that association with stroke has to be considered with caution. Defects in PDE4D are the cause of acrodysostosis type 2, with or without hormone resistance (ACRDYS2) [MIM:[https://omim.org/entry/614613 614613]. ACRDYS2 is a pleiotropic disorder characterized by skeletal, endocrine, and neurological abnormalities. Skeletal features include brachycephaly, midface hypoplasia with a small upturned nose, brachydactyly, and lumbar spinal stenosis. Endocrine abnormalities include hypothyroidism and hypogonadism in males and irregular menses in females. Developmental disability is a common finding but is variable in severity and can be associated with significant behavioral problems.<ref>PMID:22464250</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/PDE4D_HUMAN PDE4D_HUMAN] Hydrolyzes the second messenger cAMP, which is a key regulator of many important physiological processes.<ref>PMID:15260978</ref> <ref>PMID:15576036</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Atopic dermatitis is a chronic relapsing skin disease characterized by recurrent, pruritic, localized eczema, while PDE4 inhibitors have been reported to be effective as antiatopic dermatitis agents. 3',4-O-dimethylcedrusin (DCN) is a natural dihydrobenzofuran neolignan isolated from Magnolia biondii with moderate potency against PDE4 (IC(50) = 3.26 +/- 0.28 muM) and a binding mode similar to that of apremilast, an approved PDE4 inhibitor for the treatment of psoriasis. The structure-based optimization of DCN led to the identification of 7b-1 that showed high inhibitory potency on PDE4 (IC(50) = 0.17 +/- 0.02 muM), good anti-TNF-alpha activity (EC(50) = 0.19 +/- 0.10 muM), remarkable selectivity profile, and good skin permeability. The topical treatment of 7b-1 resulted in the significant benefits of pharmacological intervention in a DNCB-induced atopic dermatitis-like mice model, demonstrating its potential for the development of novel antiatopic dermatitis agents.
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Authors: Liu, J.Y., Li, M.J., Xu, Y.C.
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Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model.,Gu C, Liu J, Qian F, Yu W, Huang D, Shen J, Feng C, Chen K, Li Y, Jiang X, Xu Y, Zhang L J Med Chem. 2024 Mar 28;67(6):4855-4869. doi: 10.1021/acs.jmedchem.3c02424. Epub , 2024 Mar 15. PMID:38489246<ref>PMID:38489246</ref>
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Description: Crystal structure of PDE4D complexed with 7b-1
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Li, M.J]]
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<div class="pdbe-citations 8wdn" style="background-color:#fffaf0;"></div>
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[[Category: Xu, Y.C]]
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== References ==
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[[Category: Liu, J.Y]]
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Li MJ]]
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[[Category: Liu JY]]
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[[Category: Xu YC]]

Current revision

Crystal structure of PDE4D complexed with 7b-1

PDB ID 8wdn

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