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Structure paper

TitleStructure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 8485-8494, Year 2020
Publish dateOct 28, 2019 (structure data deposition date)
AuthorsHsieh, C.M. / Chen, C.Y. / Chern, J.W. / Chan, N.L.
External linksJ. Med. Chem. / PubMed:32663396
MethodsX-ray diffraction
Resolution1.92 Å
Structure data

PDB-6l6e:
Human PDE5 catalytic core in complex with avanafil
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

Chemicals

ChemComp-E6L:
4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid / inhibitor*YM

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / phosphodiesterase isoform 5 / avanafil / enzyme-drug complex / co-crystallization / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex

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