E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669

E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669 Descriptor: (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. Deposit date: 2017-11-13 Release date: 2018-11-21 Last modified: 2026-04-22 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Strengthening an Intramolecular Non-Classical Hydrogen Bond to Get in Shape for Binding. Angew.Chem.Int.Ed.Engl., 63, 2024

与糖模拟配体BW66969形成复合物的E-选择素凝集素（E-selectin lectin）、表皮生长因子样（EGF-like）结构域及两个SCR结构域。
描述符：(2R)-3-环己基-2-[(2R,3S,4S,5R,6R)-2-(羟甲基)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-甲基-3,4,5-三(羟基)四氢吡喃-2-基]氧基环己基]氧基-3,5-二(羟基)四氢吡喃-4-基]氧基丙酸、2-乙酰氨基-2-脱氧-β-D-吡喃葡萄糖及钙离子等。
作者：Jakob, R.P.、Zihlmann, P.、Preston, R.C.、Varga, N.、Ernst, B.、Maier, T.
存入日期：2017-11-13
发布日期：2018-11-21
最后修改日期：2026-04-22
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.04 Å
引用文献：《强化分子内非经典氢键以适配结合状态》，刊载于《Angewandte Chemie International Edition》2024年第63卷。