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Structure paper

TitleAnalysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Journal, issue, pagesBiochemistry, Vol. 49, Page 3611-3618, Year 2010
Publish dateMay 8, 2009 (structure data deposition date)
AuthorsNamboodiri, H.V. / Bukhtiyarova, M. / Ramcharan, J. / Karpusas, M. / Lee, Y. / Springman, E.B.
External linksBiochemistry / PubMed:20337484
MethodsX-ray diffraction
Resolution2.2 - 2.5 Å
Structure data

PDB-3hec:
P38 in complex with Imatinib
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3heg:
P38 in complex with Sorafenib
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-STI:
4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE / medication, inhibitor*YM

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-HOH:
WATER

ChemComp-BAX:
4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE / inhibitor*YM

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ATP-binding / Kinase / Nucleotide-binding / Nucleus / Phosphoprotein / Serine/threonine-protein kinase / Transferases

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