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TitleA Novel RAF Kinase Inhibitor with DFG-Out-Binding Mode: High Efficacy in BRAF-Mutant Tumor Xenograft Models in the Absence of Normal Tissue Hyperproliferation.
Journal, issue, pagesMol. Cancer Ther., Vol. 15, Page 354-365, Year 2016
Publish dateJul 23, 2015 (structure data deposition date)
AuthorsWaizenegger, I.C. / Baum, A. / Steurer, S. / Stadtmuller, H. / Bader, G. / Schaaf, O. / Garin-Chesa, P. / Schlattl, A. / Schweifer, N. / Haslinger, C. ...Waizenegger, I.C. / Baum, A. / Steurer, S. / Stadtmuller, H. / Bader, G. / Schaaf, O. / Garin-Chesa, P. / Schlattl, A. / Schweifer, N. / Haslinger, C. / Colbatzky, F. / Mousa, S. / Kalkuhl, A. / Kraut, N. / Adolf, G.R.
External linksMol. Cancer Ther. / PubMed:26916115
MethodsX-ray diffraction
Resolution2.51 - 2.66 Å
Structure data

PDB-5csw:
B-RAF in complex with Dabrafenib
Method: X-RAY DIFFRACTION / Resolution: 2.66 Å

PDB-5csx:
CRYSTAL STRUCTURE OF B-RAF IN COMPLEX WITH BI 882370
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

Chemicals

ChemComp-P06:
Dabrafenib / medication, anticancer, inhibitor*YM

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-54J:
N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide

ChemComp-GLC:
alpha-D-glucopyranose

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / KINASE / PROTEROS BIOSTRUCTURES GMBH

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