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Structure paper

TitleAn Unusual Intramolecular Halogen Bond Guides Conformational Selection.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 57, Page 9970-9975, Year 2018
Publish dateMay 29, 2018 (structure data deposition date)
AuthorsTesch, R. / Becker, C. / Muller, M.P. / Beck, M.E. / Quambusch, L. / Getlik, M. / Lategahn, J. / Uhlenbrock, N. / Costa, F.N. / Poleto, M.D. ...Tesch, R. / Becker, C. / Muller, M.P. / Beck, M.E. / Quambusch, L. / Getlik, M. / Lategahn, J. / Uhlenbrock, N. / Costa, F.N. / Poleto, M.D. / Pinheiro, P.S.M. / Rodrigues, D.A. / Sant'Anna, C.M.R. / Ferreira, F.F. / Verli, H. / Fraga, C.A.M. / Rauh, D.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:29873877
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-6gn1:
Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-F4N:
~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Glycogen synthase kinase-3 beta / PIK-75 / halogen bond / inhibitor

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