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TitleSynthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 674-690, Year 2024
Publish dateSep 20, 2023 (structure data deposition date)
AuthorsAmrhein, J.A. / Berger, L.M. / Balourdas, D.I. / Joerger, A.C. / Menge, A. / Kramer, A. / Frischkorn, J.M. / Berger, B.T. / Elson, L. / Kaiser, A. ...Amrhein, J.A. / Berger, L.M. / Balourdas, D.I. / Joerger, A.C. / Menge, A. / Kramer, A. / Frischkorn, J.M. / Berger, B.T. / Elson, L. / Kaiser, A. / Schubert-Zsilavecz, M. / Muller, S. / Knapp, S. / Hanke, T.
External linksJ. Med. Chem. / PubMed:38126712
MethodsX-ray diffraction
Resolution1.64 Å
Structure data

PDB-8qlq:
Human MST3 (STK24) kinase in complex with macrocyclic inhibitor JA310
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

Chemicals

ChemComp-VY0:
macrocyclic inhibitor

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Selective kinase inhibitors / macrocyclic inhibitors / structure-guided drug design

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