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TitleDiscovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 3370-3380, Year 2020
Publish dateJul 23, 2019 (structure data deposition date)
AuthorsLiang, J. / Huang, Y.Y. / Zhou, Q. / Gao, Y. / Li, Z. / Wu, D. / Yu, S. / Guo, L. / Chen, Z. / Huang, L. ...Liang, J. / Huang, Y.Y. / Zhou, Q. / Gao, Y. / Li, Z. / Wu, D. / Yu, S. / Guo, L. / Chen, Z. / Huang, L. / Liang, S.H. / He, X. / Wu, R. / Luo, H.B.
External linksJ. Med. Chem. / PubMed:32115956
MethodsX-ray diffraction
Resolution2.20000094865 - 2.20008760676 Å
Structure data

PDB-6kjz:
Crystal structure of PDE4D catalytic domain complexed with compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.20000094865 Å

PDB-6kk0:
Crystal structure of PDE4D catalytic domain complexed with compound 4e
Method: X-RAY DIFFRACTION / Resolution: 2.20008760676 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

PDB-1l61:
ANALYSIS OF THE INTERACTION BETWEEN CHARGED SIDE CHAINS AND THE ALPHA-HELIX DIPOLE USING DESIGNED THERMOSTABLE MUTANTS OF PHAGE T4 LYSOZYME

ChemComp-HOH:
WATER

ChemComp-M36:
7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PDE4 inhibitor

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