6hwz

Selenols: a new class of Carbonic Anhydrase inhibitors

spinqualitylabelsall models 6hwz, resolution 1.64Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6hwz is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: GXE, ZN Activity: Carbonate dehydratase, with EC number 4.2.1.1 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [CAH1_HUMAN] Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea. Publication Abstract from PubMed Stable aryl selenols were obtained through a convenient procedure. Selenols represent a new chemotype acting as carbonic anhydrase inhibitors (CAIs), inhibiting four human isoforms, CAs I, II, VII and the tumor-associated CA IX. X-ray crystallographic, physical and computational studies provided insights into the binding mode of this conceptually new class of CAIs. Selenols: a new class of carbonic anhydrase inhibitors.,Angeli A, Tanini D, Nocentini A, Capperucci A, Ferraroni M, Gratteri P, Supuran CT Chem Commun (Camb). 2018 Dec 18. doi: 10.1039/c8cc08562e. PMID:30560259 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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