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TitleNovel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 613-618, Year 2012
Publish dateJun 16, 2011 (structure data deposition date)
AuthorsOubrie, A. / Kaptein, A. / de Zwart, E. / Hoogenboom, N. / Goorden, R. / van de Kar, B. / van Hoek, M. / de Kimpe, V. / van der Heijden, R. / Borsboom, J. ...Oubrie, A. / Kaptein, A. / de Zwart, E. / Hoogenboom, N. / Goorden, R. / van de Kar, B. / van Hoek, M. / de Kimpe, V. / van der Heijden, R. / Borsboom, J. / Kazemier, B. / de Roos, J. / Scheffers, M. / Lommerse, J. / Schultz-Fademrecht, C. / Barf, T.
External linksBioorg. Med. Chem. Lett. / PubMed:22119462
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-3she:
Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-I85:
N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase domain with bound inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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