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TitlePurinylpyridinylamino-based DFG-in/ alpha C-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Journal, issue, pagesBioorg. Med. Chem., Vol. 24, Page 2215-2234, Year 2016
Publish dateDec 15, 2015 (structure data deposition date)
AuthorsLiu, L. / Lee, M.R. / Kim, J.L. / Whittington, D.A. / Bregman, H. / Hua, Z. / Lewis, R.T. / Martin, M.W. / Nishimura, N. / Potashman, M. ...Liu, L. / Lee, M.R. / Kim, J.L. / Whittington, D.A. / Bregman, H. / Hua, Z. / Lewis, R.T. / Martin, M.W. / Nishimura, N. / Potashman, M. / Yang, K. / Yi, S. / Vaida, K.R. / Epstein, L.F. / Babij, C. / Fernando, M. / Carnahan, J. / Norman, M.H.
External linksBioorg. Med. Chem. / PubMed:27085672
MethodsX-ray diffraction
Resolution2.89 Å
Structure data

PDB-5fd2:
B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.89 Å

Chemicals

ChemComp-5XJ:
6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / phosphotransferase / inhibitor / melanoma / Transferase-Transferase Inhibitor complex

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