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TitleComplementary Backbone and Side-Chain Analysis of Drug-Protein Interactions: Combining Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting to Discriminate the Binding of Small Molecule Therapeutics
Journal, issue, pagesTo Be Published
Publish dateFeb 2, 2024 (structure data deposition date)
AuthorsSun, Y. / Houde, D. / Iacob, R.E. / Baird, J. / Swift, R.V. / Holliday, M. / Shi, X. / Sidoli, S. / Brenowitz, M.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.77 - 2.33 Å
Structure data

PDB-8vwx:
Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to Maltose-Binding Protein
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-8vwz:
Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

PDB-8vxm:
Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8vxn:
Human Bcl-2/Bcl-xL Chimera Fused to Maltose-Binding Protein
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

Chemicals

ChemComp-HOH:
WATER

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

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • escherichia coli (strain k12) (bacteria)
  • homo sapiens (human)
  • escherichia coli k-12 (bacteria)
KeywordsAPOPTOSIS / Bcl-2 / G101V Mutant / MBP Fusion / Bcl-xL Chimera / S55746 / Complex / Protein-Protein Interface Inhibitor

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