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Structure paper

TitleStructures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Journal, issue, pagesNat Commun, Vol. 10, Page 2385-2385, Year 2019
Publish dateFeb 16, 2019 (structure data deposition date)
AuthorsBirkinshaw, R.W. / Gong, J.N. / Luo, C.S. / Lio, D. / White, C.A. / Anderson, M.A. / Blombery, P. / Lessene, G. / Majewski, I.J. / Thijssen, R. ...Birkinshaw, R.W. / Gong, J.N. / Luo, C.S. / Lio, D. / White, C.A. / Anderson, M.A. / Blombery, P. / Lessene, G. / Majewski, I.J. / Thijssen, R. / Roberts, A.W. / Huang, D.C.S. / Colman, P.M. / Czabotar, P.E.
External linksNat Commun / PubMed:31160589
MethodsX-ray diffraction
Resolution1.62 - 2.2 Å
Structure data

PDB-6o0k:
crystal structure of BCL-2 with venetoclax
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-6o0l:
crystal structure of BCL-2 G101V mutation with venetoclax
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6o0m:
crystal structure of BCL-2 F104L mutation with venetoclax
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6o0o:
crystal structure of BCL-2 G101V mutation with S55746
Method: X-RAY DIFFRACTION / Resolution: 1.998 Å

PDB-6o0p:
crystal structure of BCL-2 G101A mutation with venetoclax
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-LBM:
4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl / medication*YM

ChemComp-2PE:
NONAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-CL:
Unknown entry

ChemComp-F3Q:
~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS / BCL-2 / Venetoclax / complex / Protein-protein interface inhibitor / FDA approved drug complex / resistance mutation / S55746

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