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TitleRAF inhibitors that evade paradoxical MAPK pathway activation.
Journal, issue, pagesNature, Vol. 526, Page 583-586, Year 2015
Publish dateJan 26, 2015 (structure data deposition date)
AuthorsZhang, C. / Spevak, W. / Zhang, Y. / Burton, E.A. / Ma, Y. / Habets, G. / Zhang, J. / Lin, J. / Ewing, T. / Matusow, B. ...Zhang, C. / Spevak, W. / Zhang, Y. / Burton, E.A. / Ma, Y. / Habets, G. / Zhang, J. / Lin, J. / Ewing, T. / Matusow, B. / Tsang, G. / Marimuthu, A. / Cho, H. / Wu, G. / Wang, W. / Fong, D. / Nguyen, H. / Shi, S. / Womack, P. / Nespi, M. / Shellooe, R. / Carias, H. / Powell, B. / Light, E. / Sanftner, L. / Walters, J. / Tsai, J. / West, B.L. / Visor, G. / Rezaei, H. / Lin, P.S. / Nolop, K. / Ibrahim, P.N. / Hirth, P. / Bollag, G.
External linksNature / PubMed:26466569
MethodsX-ray diffraction
Resolution2 - 2.8 Å
Structure data

PDB-4xv1:
B-Raf Kinase V600E oncogenic mutant in complex with PLX7904
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

PDB-4xv2:
B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4xv3:
B-Raf Kinase V600E oncogenic mutant in complex with PLX7922
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4xv9:
B-Raf Kinase domain in complex with PLX5568
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-904:
N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide

ChemComp-HOH:
WATER

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

ChemComp-P02:
N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide

ChemComp-1OO:
N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / B-RAF / BRAF / PROTO-ONCOGENE / V600E / KINASE / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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