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Structure paper

TitleProtein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 3889-3903, Year 2013
Publish dateMar 20, 2013 (structure data deposition date)
AuthorsPeng, Y.H. / Shiao, H.Y. / Tu, C.H. / Liu, P.M. / Hsu, J.T. / Amancha, P.K. / Wu, J.S. / Coumar, M.S. / Chen, C.H. / Wang, S.Y. ...Peng, Y.H. / Shiao, H.Y. / Tu, C.H. / Liu, P.M. / Hsu, J.T. / Amancha, P.K. / Wu, J.S. / Coumar, M.S. / Chen, C.H. / Wang, S.Y. / Lin, W.H. / Sun, H.Y. / Chao, Y.S. / Lyu, P.C. / Hsieh, H.P. / Wu, S.Y.
External linksJ. Med. Chem. / PubMed:23611691
MethodsX-ray diffraction
Resolution2.7 - 2.83 Å
Structure data

PDB-4jq7:
Crystal structure of EGFR kinase domain in complex with compound 2a
Method: X-RAY DIFFRACTION / Resolution: 2.73 Å

PDB-4jq8:
Crystal structure of EGFR kinase domain in complex with compound 4b
Method: X-RAY DIFFRACTION / Resolution: 2.83 Å

PDB-4jr3:
Crystal structure of EGFR kinase domain in complex with compound 3g
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-4jrv:
Crystal structure of EGFR kinase domain in complex with compound 4c
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-KJQ:
(2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol

ChemComp-HOH:
WATER

ChemComp-KJ8:
N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-N~3~,N~3~-dimethyl-beta-alaninamide

ChemComp-KJR:
N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide

ChemComp-KJV:
4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Transferase / tyrosine kinase domain / ATP-binding domain / autophosphorylation / TRANSFERASE-TRANSFERASE INHIBITOR complex

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