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Structure paper

TitleDesign of rigid protein-protein interaction inhibitors enables targeting of undruggable Mcl-1.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 120, Page e2221967120-e2221967120, Year 2023
Publish dateAug 26, 2022 (structure data deposition date)
AuthorsHargreaves, D. / Carbajo, R.J. / Bodnarchuk, M.S. / Embrey, K. / Rawlins, P.B. / Packer, M. / Degorce, S.L. / Hird, A.W. / Johannes, J.W. / Chiarparin, E. / Schade, M.
External linksProc. Natl. Acad. Sci. USA / PubMed:37186857
MethodsX-ray diffraction
Resolution1.99 Å
Structure data

PDB-8av9:
INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH COMPOUND 1
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-VF8:
(3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
KeywordsAPOPTOSIS / MCL1 / FAB / MACROCYCLE / MCL1-FAB_55_C6HIS / IMMUNE SYSTEM

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