Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol activity based probe with Cy5 tag (ME569)

Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol activity based probe with Cy5 tag (ME569) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide, ... Authors: Rowland, R.J, Davies, G.J. Deposit date: 2018-12-11 Release date: 2019-03-27 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish. J.Am.Chem.Soc., 141, 2019

携带Cy5标签（ME569）的环戊烯糖醇（cyclophellitol）活性导向探针结合的重组人β-葡糖脑苷脂酶晶体结构 结构描述：2-乙酰氨基-2-脱氧-β-D-吡喃葡萄糖（2-acetamido-2-deoxy-beta-D-glucopyranose）、2-乙酰氨基-2-脱氧-β-D-吡喃葡萄糖-(1→4)-2-乙酰氨基-2-脱氧-β-D-吡喃葡萄糖（2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose）、6-[3,3-二甲基-2-[(1E,3E,5E)-5-(1,3,3-三甲基吲哚-2-亚基)五-1,3,5-三烯基]吲哚-1-鎓-1-基]-N-[[1-[[(1S,2R,3R,4S,6S)-2,3,4,6-四羟基环己基]甲基]-1,2,3-三唑-4-基]甲基]己酰胺，…… 作者：Rowland, R.J.、Davies, G.J. 沉积日期：2018-12-11 发布日期：2019-03-27 最后更新日期：2024-10-23 实验方法：X射线衍射（分辨率1.92埃） 引用文献：《功能化环戊烯糖醇类化合物为选择性葡糖脑苷脂酶抑制剂，并可在斑马鱼中构建真正的神经病变型戈谢病模型》（Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish），发表于《美国化学会志》（J. Am. Chem. Soc.），2019年，第141卷。