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TitleTargeted anticancer pre-vinylsulfone covalent inhibitors of carbonic anhydrase IX.
Journal, issue, pagesElife, Vol. 13, Year 2024
Publish dateApr 4, 2023 (structure data deposition date)
AuthorsVaskevicius, A. / Baronas, D. / Leitans, J. / Kvietkauskaite, A. / Ruksenaite, A. / Manakova, E. / Toleikis, Z. / Kaupinis, A. / Kazaks, A. / Gedgaudas, M. ...Vaskevicius, A. / Baronas, D. / Leitans, J. / Kvietkauskaite, A. / Ruksenaite, A. / Manakova, E. / Toleikis, Z. / Kaupinis, A. / Kazaks, A. / Gedgaudas, M. / Mickeviciute, A. / Juozapaitiene, V. / Schioth, H.B. / Jaudzems, K. / Valius, M. / Tars, K. / Grazulis, S. / Meyer-Almes, F.J. / Matuliene, J. / Zubriene, A. / Dudutiene, V. / Matulis, D.
External linksElife / PubMed:39688904
MethodsX-ray diffraction
Resolution1.39 - 2.2 Å
Structure data

PDB-8oo8:
Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-8s4f:
Human carbonic anhydrase I covalently bound to AV21-08
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-9flf:
Three-Dimensional Structure of Human Carbonic Anhydrase IX in Complex with a Covalent Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-ZN:
Unknown entry


ChemComp, No image

ChemComp-VV8:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-PPI:
PROPANOIC ACID

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ACY:
ACETIC ACID

PDB-1idv:
NMR structure of HCV ires RNA domain IIIC

Source
  • homo sapiens (human)
KeywordsLYASE / CA II / CA 2 / carbonic anhydrase II / carbonic anhydrase 2 / covalent inhibitor / DRUG DESIGN / CARBONIC ANHYDRASE / BENZENESULFONAMIDE / METAL-BINDING / LYASE-LYASE INHIBITOR COMPLEX / CA IX / CA 9 / carbonic anhydrase IX / carbonic anhydrase 9

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