7QSI

human Carbonic Anhydrase II in complex with indoline-1-sulfonamide

これはPDB形式変換不可エントリーです。

7QSI の概要

• エントリーDOI: 10.2210/pdb7qsi/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: carbonic anhydrase ii, inhibitor, metalloenzime, sulfonamide, 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: 29644.81

構造登録者

Angeli, A.,Ferraroni, M. (登録日: 2022-01-13, 公開日: 2023-01-25, 最終更新日: 2024-02-07)

主引用文献

Sharonova, T.,Zhmurov, P.,Kalinin, S.,Nocentini, A.,Angeli, A.,Ferraroni, M.,Korsakov, M.,Supuran, C.T.,Krasavin, M.
Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile.
J Enzyme Inhib Med Chem, 37:857-865, 2022

PubMed Abstract: A series of sulfamide fragments has been synthesised and investigated for human carbonic anhydrase inhibition. One of the fragments showing greater selectivity for cancer-related isoforms CA IX and XII was co-crystalized with CA II showing significant potential for fragment periphery evolution fragment growth and linking. These opportunities will be identified in the future the screening of this fragment structure for co-operative carbonic anhydrase binding with other structurally diverse fragments.[Figure: see text].

PubMed: 35296197
DOI: 10.1080/14756366.2022.2051023

実験手法

X-RAY DIFFRACTION (1.304 Å)