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TitleThe allosteric inhibitor ABL001 enables dual targeting of BCR-ABL1.
Journal, issue, pagesNature, Vol. 543, Page 733-737, Year 2017
Publish dateDec 13, 2016 (structure data deposition date)
AuthorsWylie, A.A. / Schoepfer, J. / Jahnke, W. / Cowan-Jacob, S.W. / Loo, A. / Furet, P. / Marzinzik, A.L. / Pelle, X. / Donovan, J. / Zhu, W. ...Wylie, A.A. / Schoepfer, J. / Jahnke, W. / Cowan-Jacob, S.W. / Loo, A. / Furet, P. / Marzinzik, A.L. / Pelle, X. / Donovan, J. / Zhu, W. / Buonamici, S. / Hassan, A.Q. / Lombardo, F. / Iyer, V. / Palmer, M. / Berellini, G. / Dodd, S. / Thohan, S. / Bitter, H. / Branford, S. / Ross, D.M. / Hughes, T.P. / Petruzzelli, L. / Vanasse, K.G. / Warmuth, M. / Hofmann, F. / Keen, N.J. / Sellers, W.R.
External linksNature / PubMed:28329763
MethodsX-ray diffraction
Resolution2.17 Å
Structure data

PDB-5mo4:
ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

Chemicals

ChemComp-NIL:
Nilotinib / medication, anticancer*YM

ChemComp-AY7:
asciminib / medication, inhibitor*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase / drug / inhibitor

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