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Structure paper

TitleSkepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.
Journal, issue, pagesNat. Chem. Biol., Vol. 8, Page 141-143, Year 2012
Publish dateFeb 23, 2011 (structure data deposition date)
AuthorsKoeberle, S.C. / Romir, J. / Fischer, S. / Koeberle, A. / Schattel, V. / Albrecht, W. / Grutter, C. / Werz, O. / Rauh, D. / Stehle, T. / Laufer, S.A.
External linksNat. Chem. Biol. / PubMed:22198732
MethodsX-ray diffraction
Resolution1.9 - 2.7 Å
Structure data

PDB-3que:
Human p38 MAP Kinase in Complex with Skepinone-L
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-3zya:
Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-3FF:
2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one

ChemComp-HOH:
WATER

ChemComp-2A8:
2-AMINO-PHENYLAMINO-DIBENZOSUBERONE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase Domain / Phosphate Transferase / Dibenzosuberone Derivative / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE / ALLOSTERIC REGULATION / PROTEIN KINASE INHIBITOR / STRUCTURE-ACTIVITY RELATIONSHIP / P38 MITOGEN-ACTIVATED PROTEIN KINASES

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