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TitleComputational design of potent and selective binders of BAK and BAX.
Journal, issue, pagesSci Adv, Vol. 11, Page eadt4170-eadt4170, Year 2025
Publish dateSep 16, 2022 (structure data deposition date)
AuthorsBerger, S. / Lee, E.F. / Harris, T.J. / Tran, S. / Bera, A.K. / Arguinchona, L. / Kang, A. / Sankaran, B. / Kasapgil, S. / Miller, M.S. ...Berger, S. / Lee, E.F. / Harris, T.J. / Tran, S. / Bera, A.K. / Arguinchona, L. / Kang, A. / Sankaran, B. / Kasapgil, S. / Miller, M.S. / Smyth, S. / Lutfi, M. / Uren, R.T. / Kluck, R.M. / Colman, P.M. / Fairlie, W.D. / Czabotar, P.E. / Baker, D. / Birkinshaw, R.W.
External linksSci Adv / PubMed:40911686
MethodsX-ray diffraction
Resolution2.81 - 2.86 Å
Structure data

PDB-8eja:
Computational design of potent and selective inhibitors of Bak and Bax
Method: X-RAY DIFFRACTION / Resolution: 2.81 Å

PDB-9clb:
Crystal structure of Bak bound to the inhibitory aBAK
Method: X-RAY DIFFRACTION / Resolution: 2.86 Å

Chemicals

ChemComp-HOH:
WATER

Source
  • synthetic construct (others)
  • homo sapiens (human)
KeywordsDE NOVO PROTEIN / Computational design / selective inhibitors / Bak / Bax / APOPTOSIS / inhibitor / BH3-mimetic

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