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Structure paper

TitleActivation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Journal, issue, pagesCancer Cell, Vol. 29, Page 477-493, Year 2016
Publish dateJan 11, 2016 (structure data deposition date)
AuthorsFoster, S.A. / Whalen, D.M. / Ozen, A. / Wongchenko, M.J. / Yin, J. / Yen, I. / Schaefer, G. / Mayfield, J.D. / Chmielecki, J. / Stephens, P.J. ...Foster, S.A. / Whalen, D.M. / Ozen, A. / Wongchenko, M.J. / Yin, J. / Yen, I. / Schaefer, G. / Mayfield, J.D. / Chmielecki, J. / Stephens, P.J. / Albacker, L.A. / Yan, Y. / Song, K. / Hatzivassiliou, G. / Eigenbrot, C. / Yu, C. / Shaw, A.S. / Manning, G. / Skelton, N.J. / Hymowitz, S.G. / Malek, S.
External linksCancer Cell / PubMed:26996308
MethodsX-ray diffraction
Resolution2.5 - 3 Å
Structure data

PDB-5hi2:
BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib
Method: X-RAY DIFFRACTION / Resolution: 2.512 Å

PDB-5hib:
EGFR kinase domain mutant "TMLR" with a pyrazolopyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-5hic:
EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-5hid:
BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-5hie:
BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-BAX:
4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE / inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-63M:
N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-63N:
N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine

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

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

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

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex / protein kinase / inhibitor

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