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Structure paper

TitleOff-target binding of the histone deacetylase inhibitor vorinostat to carbonic anhydrase II and IX.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 81, Page 388-397, Year 2025
Publish dateApr 17, 2025 (structure data deposition date)
AuthorsGulkis, M.C. / Hodgkinson, J.T. / Sele, C.P. / Knecht, W. / McKenna, R. / Fisher, S.Z.
External linksActa Crystallogr. ,Sect. F / PubMed:40856436
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-9o8x:
Cryo structure of human carbonic anhydrase IX mimic in complex with vorinostat (drug soak)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-9oaf:
Room temperature structure of human carbonic anhydrase IX mimic in complex with vorinostat (drug soak)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-9oam:
Room temperature structure of carbonic anhydrase II in complex with vorinostat (co-crystal)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-9obj:
Room temperature structure of carbonic anhydrase II in complex with vorinostat (drug soak)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SHH:
OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / Carbonic Anhydrase / Inhibitor Complex / Zinc Binding Protein / Carbonic anhydrase II / Vorinostat

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