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TitleTargeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 137, Page 14640-14652, Year 2015
Publish dateNov 25, 2014 (structure data deposition date)
AuthorsLange, A. / Gunther, M. / Buttner, F.M. / Zimmermann, M.O. / Heidrich, J. / Hennig, S. / Zahn, S. / Schall, C. / Sievers-Engler, A. / Ansideri, F. ...Lange, A. / Gunther, M. / Buttner, F.M. / Zimmermann, M.O. / Heidrich, J. / Hennig, S. / Zahn, S. / Schall, C. / Sievers-Engler, A. / Ansideri, F. / Koch, P. / Laemmerhofer, M. / Stehle, T. / Laufer, S.A. / Boeckler, F.M.
External linksJ. Am. Chem. Soc. / PubMed:26505827
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-4x21:
The MAP kinase JNK3 as target for halogen bonding
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-3WH:
N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / MAPK / halogen bond complex

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