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Structure paper

TitleIndolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 4130-4133, Year 2011
Publish dateApr 14, 2011 (structure data deposition date)
AuthorsEastwood, P. / Gonzalez, J. / Gomez, E. / Vidal, B. / Caturla, F. / Roca, R. / Balague, C. / Orellana, A. / Dominguez, M.
External linksBioorg. Med. Chem. Lett. / PubMed:21696951
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-3rin:
p38 kinase crystal structure in complex with small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-I2O:
N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / p38 MAP kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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