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Structure paper

TitleAxitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation.
Journal, issue, pagesNature, Vol. 519, Page 102-105, Year 2015
Publish dateJul 1, 2014 (structure data deposition date)
AuthorsPemovska, T. / Johnson, E. / Kontro, M. / Repasky, G.A. / Chen, J. / Wells, P. / Cronin, C.N. / McTigue, M. / Kallioniemi, O. / Porkka, K. ...Pemovska, T. / Johnson, E. / Kontro, M. / Repasky, G.A. / Chen, J. / Wells, P. / Cronin, C.N. / McTigue, M. / Kallioniemi, O. / Porkka, K. / Murray, B.W. / Wennerberg, K.
External linksNature / PubMed:25686603
MethodsX-ray diffraction
Resolution2.2 - 2.4 Å
Structure data

PDB-4twp:
The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4wa9:
The crystal structure of human abl1 wild type kinase domain in complex with axitinib
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-AXI:
AXITINIB / inhibitor*YM

ChemComp-NI:
NICKEL (II) ION

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / gatekeeper mutant Kinase domain DFGin / Transferase-Transferase Inhibitor complex / KINASE / KINASE INHIBITOR / AXITINIB / ACTIVATION LOOP / DFG-OUT / TRANSFERASE

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