3QAI

X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3

3QAI の概要

• エントリーDOI: 10.2210/pdb3qai/pdb
• 関連するPDBエントリー: 3NBV 3NBW 3NC2 3NC9 3NCA 3Q92 3QA2
• 分子名称: Ketohexokinase, SULFATE ION, N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine, ... (4 entities in total)
• 機能のキーワード: ketohexokinase, atp binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 69310.48

構造登録者

Abad, M.C. (登録日: 2011-01-11, 公開日: 2012-01-18, 最終更新日: 2023-09-13)

• 主引用文献: Maryanoff, B.E.,O'Neill, J.C.,McComsey, D.F.,Yabut, S.C.,Luci, D.K.,Jordan, A.D.,Masucci, J.A.,Jones, W.J.,Abad, M.C.,Gibbs, A.C.,Petrounia, I.; Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.; ACS Med Chem Lett, 2:538-543, 2011; PubMed: 24900346; DOI: 10.1021/ml200070g

実験手法

X-RAY DIFFRACTION (2.7 Å)