8FR2

Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h

8FR2 の概要

• エントリーDOI: 10.2210/pdb8fr2/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, ... (5 entities in total)
• 機能のキーワード: inhibitor, metal binding protein, lyase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29430.43

構造登録者

Combs, J.C.,McKenna, R. (登録日: 2023-01-06, 公開日: 2023-02-01, 最終更新日: 2024-05-22)

主引用文献

Combs, J.,Bozdag, M.,Cravey, L.D.,Kota, A.,McKenna, R.,Angeli, A.,Carta, F.,Supuran, C.T.
New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28:-, 2023

PubMed Abstract: This paper reports an investigation into the impact of pyridyl functional groups in conjunction with hydroxide-substituted benzenesulfonamides on the inhibition of human carbonic anhydrase (CA; EC 4.2.1.1) enzymes. These compounds were tested in vitro of CA II and CA IX, two physiologically important CA isoforms. The most potent inhibitory molecules against CA IX, , , and , were studied to understand their binding modes via X-ray crystallography in adduct with CA II and CA IX-mimic. This research further adds to the field of CA inhibitors to better understand ligand selectivity between isoforms found in humans.

PubMed: 36677947
DOI: 10.3390/molecules28020890

実験手法

X-RAY DIFFRACTION (1.307 Å)