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| Hauptseite > Publikationsdatenbank > Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative > print |
| Hauptseite > Publikationsdatenbank > Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative > print |
| 001 | 872857 | ||
| 005 | 20210130004317.0 | ||
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| 100 | 1 | _ | |a Koruza, Katarina |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative |
| 260 | _ | _ | |a San Diego, Calif. |c 2019 |b Elsevier |
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| 520 | _ | _ | |a Up-regulation of carbonic anhydrase IX (CA IX) expression is an indicator of metastasis and associated with poorcancer patient prognosis. CA IX has emerged as a cancer drug target but development of isoform-specific inhibitorsis challenging due to other highly conserved CA isoforms. In this study, a CA IXmimic construct was used(CA II with seven point mutations introduced, to mimic CA IX active site) while maintaining CA II solubility thatmake it amenable to crystallography. The structures of CA IXmimic unbound and in complex with saccharin (SAC)and a saccharin-glucose conjugate (SGC) were determined using joint X-ray and neutron protein crystallography.Previously, SAC and SGC have been shown to display CA isoform inhibitor selectivity in assays and X-ray crystalstructures failed to reveal the basis of this selectivity. Joint X-ray and neutron crystallographic studies haveshown active site residues, solvent, and H-bonding re-organization upon SAC and SGC binding. These observationshighlighted the importance of residues 67 (Asn in CA II, Gln in CA IX) and 130 (Asp in CA II, Arg in CAIX) in selective CA inhibitor targeting. |
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| 700 | 1 | _ | |a Knecht, Wolfgang |0 P:(DE-HGF)0 |b 6 |
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| 773 | _ | _ | |a 10.1016/j.jsb.2018.12.009 |g Vol. 205, no. 2, p. 147 - 154 |0 PERI:(DE-600)1469822-5 |n 2 |p 147 - 154 |t Journal of structural biology |v 205 |y 2019 |x 1047-8477 |
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