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TitleThe design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 74, Page 547-559, Year 2009
Publish dateOct 2, 2009 (structure data deposition date)
AuthorsTecle, H. / Feru, F. / Liu, H. / Kuhn, C. / Rennie, G. / Morris, M. / Shao, J. / Cheng, A.C. / Gikunju, D. / Miret, J. ...Tecle, H. / Feru, F. / Liu, H. / Kuhn, C. / Rennie, G. / Morris, M. / Shao, J. / Cheng, A.C. / Gikunju, D. / Miret, J. / Coli, R. / Xi, S.H. / Clugston, S.L. / Low, S. / Kazmirski, S. / Ding, Y.H. / Cao, Q. / Johnson, T.L. / Deshmukh, G.D. / DiNitto, J.P. / Wu, J.C. / English, J.M.
External linksChem. Biol. Drug Des. / PubMed:19843080
MethodsX-ray diffraction
Resolution1.7 - 1.995 Å
Structure data

PDB-3k3i:
p38alpha bound to novel DGF-out compound PF-00215955
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3k3j:
P38alpha bound to novel DFG-out compound PF-00416121
Method: X-RAY DIFFRACTION / Resolution: 1.995 Å

Chemicals

ChemComp-JZJ:
(3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline

ChemComp-I46:
2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine

ChemComp-HOH:
WATER

ChemComp-F4C:
2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / P38 Kinase / Alternative splicing / ATP-binding / Cytoplasm / Kinase / Nucleotide-binding / Nucleus / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase / p38alpha kinase

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