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Structure paper

TitleX-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.
Journal, issue, pagesBioorg. Chem., Vol. 97, Page 103669-103669, Year 2020
Publish dateJan 20, 2020 (structure data deposition date)
AuthorsAngeli, A. / Peat, T.S. / Selleri, S. / Saleh Alfawaz Altamimi, A. / Supuran, C.T. / Carta, F.
External linksBioorg. Chem. / PubMed:32088421
MethodsX-ray diffraction
Resolution1.37 Å
Structure data

PDB-6vkg:
Human carbonic anhydrase IX mimic with Epacadostat bound
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-BBJ:
N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide / inhibitor*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE/LYASE INHIBITOR / human carbonic anhydrase IX mimic / metalloenzyme / Epacadostat / metal binding protein / LYASE-LYASE INHIBITOR complex

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