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Structure paper

TitleDesign, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Journal, issue, pagesEur. J. Med. Chem., Vol. 223, Page 113638-113638, Year 2021
Publish dateNov 11, 2020 (structure data deposition date)
AuthorsBrullo, C. / Rapetti, F. / Abbate, S. / Prosdocimi, T. / Torretta, A. / Semrau, M. / Massa, M. / Alfei, S. / Storici, P. / Parisini, E. / Bruno, O.
External linksEur. J. Med. Chem. / PubMed:34171658
MethodsX-ray diffraction
Resolution1.5 - 1.66 Å
Structure data

PDB-7ay6:
Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-7b9h:
Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-S8Q:
2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-T3K:
3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Phosphodiesterase 4D / Inhibitor / Complex / GEBR

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