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TitlePredicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation.
Journal, issue, pagesSci Rep, Vol. 8, Page 4883-4883, Year 2018
Publish dateNov 15, 2017 (structure data deposition date)
AuthorsPerez-Benito, L. / Keranen, H. / van Vlijmen, H. / Tresadern, G.
External linksSci Rep / PubMed:29559702
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-6ezf:
PDE2 in complex with molecule 5
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-ZN:
Unknown entry

ChemComp-C6Z:
6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PDE2

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