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Structure paper

TitleUnprecedented carbonic anhydrase inhibition mechanism: Targeting histidine 64 side chain through a halogen bond.
Journal, issue, pagesArch Pharm, Vol. 358, Page e2400776-e2400776, Year 2025
Publish dateOct 4, 2023 (structure data deposition date)
AuthorsPaciotti, R. / Carradori, S. / Angeli, A. / D'Agostino, I. / Ferraroni, M. / Coletti, C. / Supuran, C.T.
External linksArch Pharm / PubMed:39763011
MethodsX-ray diffraction
Resolution1.346 Å
Structure data

PDB-8qqa:
human carbonic anhydrase II in complex with Bithionol
Method: X-RAY DIFFRACTION / Resolution: 1.346 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ZN:
Unknown entry

ChemComp-B1T:
2,2'-sulfanediylbis(4,6-dichlorophenol) / antibiotic*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / carbonic anhydrase 2; inhibitor / metalloenzyme / bithionol; halogen bond

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