4Q0L

Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor

4Q0L の概要

• エントリーDOI: 10.2210/pdb4q0l/pdb
• 関連するPDBエントリー: 4PYX 4PYY 4PZH 4Q06 4Q07 4Q08 4Q09
• 分子名称: Carbonic anhydrase 12, ZINC ION, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ... (4 entities in total)
• 機能のキーワード: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor comple, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: O43570
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 121708.86

構造登録者

Smirnov, A.,Manakova, E.,Grazulis, S. (登録日: 2014-04-02, 公開日: 2015-01-28, 最終更新日: 2023-09-20)

• 主引用文献: Dudutiene, V.,Matuliene, J.,Smirnov, A.,Timm, D.D.,Zubriene, A.,Baranauskiene, L.,Morkunaite, V.,Smirnoviene, J.,Michailoviene, V.,Juozapaitiene, V.,Mickeviciute, A.,Kazokaite, J.,Baksyte, S.,Kasiliauskaite, A.,Jachno, J.,Revuckiene, J.,Kisonaite, M.,Pilipuityte, V.,Ivanauskaite, E.,Milinaviciute, G.,Smirnovas, V.,Petrikaite, V.,Kairys, V.,Petrauskas, V.,Norvaisas, P.,Linge, D.,Gibieza, P.,Capkauskaite, E.,Zaksauskas, A.,Kazlauskas, E.,Manakova, E.,Grazulis, S.,Ladbury, J.E.,Matulis, D.; Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.; J.Med.Chem., 57:9435-9446, 2014; PubMed: 25358084; DOI: 10.1021/jm501003k

実験手法

X-RAY DIFFRACTION (2 Å)