6W0X

Structure of KHK in complex with compound 4 (6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile)

6W0X の概要

• エントリーDOI: 10.2210/pdb6w0x/pdb
• 分子名称: Ketohexokinase, 6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: ketohexokinase, 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: 69082.01

構造登録者

Jasti, J. (登録日: 2020-03-03, 公開日: 2020-09-23, 最終更新日: 2023-10-11)

• 主引用文献: Futatsugi, K.,Smith, A.C.,Tu, M.,Raymer, B.,Ahn, K.,Coffey, S.B.,Dowling, M.S.,Fernando, D.P.,Gutierrez, J.A.,Huard, K.,Jasti, J.,Kalgutkar, A.S.,Knafels, J.D.,Pandit, J.,Parris, K.D.,Perez, S.,Pfefferkorn, J.A.,Price, D.A.,Ryder, T.,Shavnya, A.,Stock, I.A.,Tsai, A.S.,Tesz, G.J.,Thuma, B.A.,Weng, Y.,Wisniewska, H.M.,Xing, G.,Zhou, J.,Magee, T.V.; Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.; J.Med.Chem., 63:13546-13560, 2020; PubMed: 32910646; DOI: 10.1021/acs.jmedchem.0c00944

実験手法

X-RAY DIFFRACTION (2.38 Å)