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TitleStructure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 3251-3255, Year 2008
Publish dateApr 14, 2008 (structure data deposition date)
AuthorsCogan, D.A. / Aungst, R. / Breinlinger, E.C. / Fadra, T. / Goldberg, D.R. / Hao, M.H. / Kroe, R. / Moss, N. / Pargellis, C. / Qian, K.C. / Swinamer, A.D.
External linksBioorg. Med. Chem. Lett. / PubMed:18462940
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-3ctq:
Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-337:
N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Two lobe kinase fold / N-terminal beta-sheet / C-terminal alpha-helix / Alternative splicing / ATP-binding / Cytoplasm / Kinase / Nucleotide-binding / Nucleus / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase

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