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TitleIn vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 4719-4723, Year 2010
Publish dateMar 8, 2010 (structure data deposition date)
AuthorsRevesz, L. / Schlapbach, A. / Aichholz, R. / Dawson, J. / Feifel, R. / Hawtin, S. / Littlewood-Evans, A. / Koch, G. / Kroemer, M. / Mobitz, H. ...Revesz, L. / Schlapbach, A. / Aichholz, R. / Dawson, J. / Feifel, R. / Hawtin, S. / Littlewood-Evans, A. / Koch, G. / Kroemer, M. / Mobitz, H. / Scheufler, C. / Velcicky, J. / Huppertz, C.
External linksBioorg. Med. Chem. Lett. / PubMed:20591669
MethodsX-ray diffraction
Resolution2.41 Å
Structure data

PDB-3m2w:
Crystal structure of MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-tetracyclic ATP site inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

Chemicals

ChemComp-L8I:
2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / SMALL MOLECULE INHIBITOR / spiroazetidine-tetracycle / ATP-SITE KINASE INHIBITOR / NOVARTIS compound NVP-BXS169 / ATP-binding / Kinase / Nucleotide-binding / Phosphoprotein / Serine/threonine-protein kinase

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