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Structure paper

TitleMechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 11432-11444, Year 2021
Publish dateApr 16, 2020 (structure data deposition date)
AuthorsPlyasova, A.A. / Berrino, E. / Khan, I.I. / Veselovsky, A.V. / Pokrovsky, V.S. / Angeli, A. / Ferraroni, M. / Supuran, C.T. / Pokrovskaya, M.V. / Alexandrova, S.S. ...Plyasova, A.A. / Berrino, E. / Khan, I.I. / Veselovsky, A.V. / Pokrovsky, V.S. / Angeli, A. / Ferraroni, M. / Supuran, C.T. / Pokrovskaya, M.V. / Alexandrova, S.S. / Gladilina, Y.A. / Sokolov, N.N. / Hilal, A. / Carta, F. / Zhdanov, D.D.
External linksJ. Med. Chem. / PubMed:34283610
MethodsX-ray diffraction
Resolution1.1 - 1.28 Å
Structure data

PDB-6ypw:
Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-7nh6:
Crystal structure of human carbonic anhydrase II with 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-P75:
4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-UDE:
3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide

Source
  • homo sapiens (human)
KeywordsLYASE / Carbonic Anhydrase Inhibitors; AZT; Telomerase Inhibitors; Cancer; Molecular hybrids; Click Chemistry; Triazole. / carbonic anhydrase II / inhibitor / metalloenzyme / sulfonamide

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