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Structure paper

TitleA theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
Journal, issue, pagesTo be published
Publish dateAug 29, 2018 (structure data deposition date)
AuthorsConvery, M.A. / Summers, D. / Hobbs, H. / Jamieson, C. / Kennedy, A.R. / Pal, S. / Peace, S. / Pogany, P. / Upton, R.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.9 - 2.08 Å
Structure data

PDB-6hi1:
PI3 Kinase Delta in complex with 3[6(morpholin4yl)pyridin2yl]phenol
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-6hi2:
PI3 Kinase Delta in complex with 3{6[(1S,6R)3oxabicyclo[4.1.0]heptan6yl]pyridin2yl}phenol
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6hi9:
PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

Chemicals

ChemComp-G5T:
3-(6-morpholin-4-ylpyridin-2-yl)phenol

ChemComp-HOH:
WATER

ChemComp-G62:
3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol

ChemComp-G68:
3-[6-(oxan-4-yl)pyridin-2-yl]phenol

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE / kinase / drug discovery / complex

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