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TitleSimultaneous CK2/TNIK/DYRK1 inhibition by 108600 suppresses triple negative breast cancer stem cells and chemotherapy-resistant disease.
Journal, issue, pagesNat Commun, Vol. 12, Page 4671-4671, Year 2021
Publish dateDec 15, 2020 (structure data deposition date)
AuthorsSato, K. / Padgaonkar, A.A. / Baker, S.J. / Cosenza, S.C. / Rechkoblit, O. / Subbaiah, D.R.C.V. / Domingo-Domenech, J. / Bartkowski, A. / Port, E.R. / Aggarwal, A.K. ...Sato, K. / Padgaonkar, A.A. / Baker, S.J. / Cosenza, S.C. / Rechkoblit, O. / Subbaiah, D.R.C.V. / Domingo-Domenech, J. / Bartkowski, A. / Port, E.R. / Aggarwal, A.K. / Ramana Reddy, M.V. / Irie, H.Y. / Premkumar Reddy, E.
External linksNat Commun / PubMed:34344863
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-7l1x:
Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600.
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-ON6:
(2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / inhibitor 108600 / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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