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Structure paper

TitleFirst comprehensive structural and biophysical analysis of MAPK13 inhibitors targeting DFG-in and DFG-out binding modes.
Journal, issue, pagesBiochim. Biophys. Acta, Vol. 1860, Page 2335-2344, Year 2016
Publish dateNov 3, 2015 (structure data deposition date)
AuthorsYurtsever, Z. / Patel, D.A. / Kober, D.L. / Su, A. / Miller, C.A. / Romero, A.G. / Holtzman, M.J. / Brett, T.J.
External linksBiochim. Biophys. Acta / PubMed:27369736
MethodsX-ray diffraction
Resolution2 - 2.594 Å
Structure data

PDB-5ekn:
Crystal structure of MAPK13 complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.594 Å

PDB-5eko:
Crystal structure of MAPK13 complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-N58:
1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea

ChemComp-HOH:
WATER

ChemComp-N17:
3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / KINASE / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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