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TitleStructure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
Journal, issue, pagesJ. Biol. Chem., Vol. 284, Page 12853-12861, Year 2009
Publish dateDec 10, 2008 (structure data deposition date)
AuthorsKamenecka, T. / Habel, J. / Duckett, D. / Chen, W. / Ling, Y.Y. / Frackowiak, B. / Jiang, R. / Shin, Y. / Song, X. / LoGrasso, P.
External linksJ. Biol. Chem. / PubMed:19261605
MethodsX-ray diffraction
Resolution2.2 - 2.28 Å
Structure data

PDB-3fi2:
Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-3fi3:
Crystal structure of JNK3 with indazole inhibitor, SR-3737
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-JK1:
3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-JK2:
3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / JNK3 / protein-inhibitor complex / Alternative splicing / ATP-binding / Chromosomal rearrangement / Cytoplasm / Epilepsy / Kinase / Nucleotide-binding / Phosphoprotein / Serine/threonine-protein kinase

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