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Structure paper

TitlePyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 6237-6241, Year 2012
Publish dateJul 23, 2012 (structure data deposition date)
AuthorsWenglowsky, S. / Moreno, D. / Laird, E.R. / Gloor, S.L. / Ren, L. / Risom, T. / Rudolph, J. / Sturgis, H.L. / Voegtli, W.C.
External linksBioorg. Med. Chem. Lett. / PubMed:22954737
MethodsX-ray diffraction
Resolution3.2 - 3.5 Å
Structure data

PDB-4g9c:
Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.5 Å

PDB-4g9r:
B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-0WP:
3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

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

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / DFG-out / Inhibitor / Type II / Transferase / Kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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