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TitleUtilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 5864-5868, Year 2010
Publish dateJul 12, 2010 (structure data deposition date)
AuthorsLin, S. / Wrobleski, S.T. / Hynes, J. / Pitt, S. / Zhang, R. / Fan, Y. / Doweyko, A.M. / Kish, K.F. / Sack, J.S. / Malley, M.F. ...Lin, S. / Wrobleski, S.T. / Hynes, J. / Pitt, S. / Zhang, R. / Fan, Y. / Doweyko, A.M. / Kish, K.F. / Sack, J.S. / Malley, M.F. / Kiefer, S.E. / Newitt, J.A. / McKinnon, M. / Trzaskos, J. / Barrish, J.C. / Dodd, J.H. / Schieven, G.L. / Leftheris, K.
External linksBioorg. Med. Chem. Lett. / PubMed:20732813
MethodsX-ray diffraction
Resolution2.09 Å
Structure data

PDB-3nww:
P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

Chemicals

ChemComp-3NW:
1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / P38 MAP KINASE / SERINE/THREONINE-PROTEIN KINASE / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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