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Structure paper

TitleThe Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Journal, issue, pagesMolecules, Vol. 26, Year 2021
Publish dateMar 16, 2021 (structure data deposition date)
AuthorsMueller, S.L. / Chrysanthopoulos, P.K. / Halili, M.A. / Hepburn, C. / Nebl, T. / Supuran, C.T. / Nocentini, A. / Peat, T.S. / Poulsen, S.A.
External linksMolecules / PubMed:34070212
MethodsX-ray diffraction
Resolution1.3 Å
Structure data

PDB-7m23:
Human carbonic anhydrase II in complex with troglitazone
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-7m24:
Human carbonic anhydrase II in complex with (R)-rosiglitazone
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-7m26:
Human carbonic anhydrase II in complex with pioglitazone
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-TDZ:
(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE / antiinflammatory*YM

ChemComp-HOH:
WATER

ChemComp-RGZ:
(R)-ROSIGLITAZONE

ChemComp-P1B:
(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione / medication*YM

Source
  • homo sapiens (human)
KeywordsLYASE/LYASE INHIBITOR / glitazone drug class / LYASE-LYASE INHIBITOR complex

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