5WBP

Structure of human Ketohexokinase complexed with hits from fragment screening

5WBP の概要

• エントリーDOI: 10.2210/pdb5wbp/pdb
• 分子名称: Ketohexokinase, 3-(trifluoromethyl)quinoxalin-2(1H)-one, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: ketohexokinase, fragment-based drug discovery, sbdd, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68939.73

構造登録者

Pandit, J. (登録日: 2017-06-29, 公開日: 2017-09-13, 最終更新日: 2023-10-04)

• 主引用文献: Huard, K.,Ahn, K.,Amor, P.,Beebe, D.A.,Borzilleri, K.A.,Chrunyk, B.A.,Coffey, S.B.,Cong, Y.,Conn, E.L.,Culp, J.S.,Dowling, M.S.,Gorgoglione, M.F.,Gutierrez, J.A.,Knafels, J.D.,Lachapelle, E.A.,Pandit, J.,Parris, K.D.,Perez, S.,Pfefferkorn, J.A.,Price, D.A.,Raymer, B.,Ross, T.T.,Shavnya, A.,Smith, A.C.,Subashi, T.A.,Tesz, G.J.,Thuma, B.A.,Tu, M.,Weaver, J.D.,Weng, Y.,Withka, J.M.,Xing, G.,Magee, T.V.; Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).; J. Med. Chem., 60:7835-7849, 2017; PubMed: 28853885; DOI: 10.1021/acs.jmedchem.7b00947

実験手法

X-RAY DIFFRACTION (2.74 Å)