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Structure paper

TitleAllosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Journal, issue, pagesChemistry, Vol. 29, Page e202300872-e202300872, Year 2023
Publish dateJun 24, 2022 (structure data deposition date)
AuthorsHobbs, K.F. / Propp, J. / Vance, N.R. / Kalenkiewicz, A. / Witkin, K.R. / Ashley Spies, M.
External linksChemistry / PubMed:37005499
MethodsX-ray diffraction
Resolution2.8 - 3.2 Å
Structure data

PDB-8dgz:
Caspase-7 bound to substrate mimic and allosteric inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-8dj3:
Caspase-7 bound to novel allosteric inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-8YJ:
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid

ChemComp-SE1:
2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsAPOPTOSIS/APOPTOSIS INHIBITOR / allostery / inhibitor / ternary / APOPTOSIS-APOPTOSIS INHIBITOR complex

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