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Structure paper

TitleCovalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 56, Page 13232-13236, Year 2017
Publish dateJun 14, 2017 (structure data deposition date)
AuthorsBuhrmann, M. / Hardick, J. / Weisner, J. / Quambusch, L. / Rauh, D.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:28834017
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-5o8u:
Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5o8v:
Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-9O5:
4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one

ChemComp-HOH:
WATER

ChemComp-9O2:
~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / small molecule / lipid pocket / p38 / covalent / mutant

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