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Structure paper

TitleNon-oxime inhibitors of B-Raf(V600E) kinase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 1243-1247, Year 2011
Publish dateNov 24, 2010 (structure data deposition date)
AuthorsRen, L. / Wenglowsky, S. / Miknis, G. / Rast, B. / Buckmelter, A.J. / Ely, R.J. / Schlachter, S. / Laird, E.R. / Randolph, N. / Callejo, M. ...Ren, L. / Wenglowsky, S. / Miknis, G. / Rast, B. / Buckmelter, A.J. / Ely, R.J. / Schlachter, S. / Laird, E.R. / Randolph, N. / Callejo, M. / Martinson, M. / Galbraith, S. / Brandhuber, B.J. / Vigers, G. / Morales, T. / Voegtli, W.C. / Lyssikatos, J.
External linksBioorg. Med. Chem. Lett. / PubMed:21251822
MethodsX-ray diffraction
Resolution2.9 - 3.7 Å
Structure data

PDB-3ppj:
Human B-Raf Kinase in Complex with a Furopyridine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.7 Å

PDB-3ppk:
Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-3prf:
Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-3pri:
Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.5 Å

Chemicals

ChemComp-FOI:
methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate

ChemComp-FNI:
3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide

ChemComp-FP3:
2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol

ChemComp-FP4:
3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Protein kinase / ATP-competitive inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex / B-Raf ATP-competitive inhibitor

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