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Structure paper

TitleTarget Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
Journal, issue, pagesJ. Pharmacol. Exp. Ther., Vol. 343, Page 342-350, Year 2012
Publish dateJul 18, 2012 (structure data deposition date)
AuthorsSolca, F. / Dahl, G. / Zoephel, A. / Bader, G. / Sanderson, M. / Klein, C. / Kraemer, O. / Himmelsbach, F. / Haaksma, E. / Adolf, G.R.
External linksJ. Pharmacol. Exp. Ther. / PubMed:22888144
MethodsX-ray diffraction
Resolution2.8 - 3.17 Å
Structure data

PDB-4g5j:
Crystal structure of EGFR kinase in complex with BIBW2992
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4g5p:
Crystal structure of EGFR kinase T790M in complex with BIBW2992
Method: X-RAY DIFFRACTION / Resolution: 3.17 Å

Chemicals

ChemComp-0WN:
N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide / medication, inhibitor*YM

ChemComp-0WM:
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide / medication, inhibitor*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / PROTEIN KINASE / TRANSFERASE-TRANSFERASE INHIBITOR complex / EGF RECEPTOR KINASE MUTANT T790M

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