8WTQ

HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid

8WTQ の概要

• エントリーDOI: 10.2210/pdb8wtq/pdb
• 分子名称: Squalene synthase, PHOSPHATE ION, 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid, ... (4 entities in total)
• 機能のキーワード: terpenoid synthase fold, isoprene biosynthesis, lipid synthesis, multifunctional enzyme, oxidoreductase, steroid biosynthesis, sterol biosynthesis, transferase-transferase inhibitor complex, transferase
• 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: 39861.81

構造登録者

Suzuki, M.,Haginoya, N.,Suzuki, M.,Ishigai, Y.,Terayama, K.,Kanda, A.,Sugita, K. (登録日: 2023-10-19, 公開日: 2024-05-22)

• 主引用文献: Haginoya, N.,Suzuki, M.,Suzuki, M.,Ishigai, Y.,Terayama, K.,Kanda, A.,Sugita, K.; Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors.; J.Med.Chem., 67:5305-5314, 2024; PubMed: 38517948; DOI: 10.1021/acs.jmedchem.3c01500

実験手法

X-RAY DIFFRACTION (2 Å)