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Structure paper

TitleAn integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Journal, issue, pagesCancer Cell, Vol. 30, Page 1-14, Year 2016
Publish dateDec 24, 2014 (structure data deposition date)
AuthorsKaroulia, Z. / Wu, Y. / Ahmed, T.A. / Qisheng, X. / Bollard, J. / Krepler, C. / Wu, X. / Zhang, C. / Bollag, G. / Herlym, M. ...Karoulia, Z. / Wu, Y. / Ahmed, T.A. / Qisheng, X. / Bollard, J. / Krepler, C. / Wu, X. / Zhang, C. / Bollag, G. / Herlym, M. / Fagin, J.A. / Lujambio, A. / Gavathiotis, E. / Poulikakos, P.I.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.95 - 3.493 Å
Structure data

PDB-4rzv:
Crystal structure of the BRAF (R509H) kinase domain monomer bound to Vemurafenib
Method: X-RAY DIFFRACTION / Resolution: 2.994 Å

PDB-4rzw:
Crystal structure of BRAF (R509H) kinase domain bound to AZ628
Method: X-RAY DIFFRACTION / Resolution: 3.493 Å

PDB-5ita:
Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-032:
N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide

ChemComp-B1E:
3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide

ChemComp-6DC:
N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / Transferase-Transferase Inhibitor complex / transferase / kinase and inhibitor complex

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