Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment

Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment Descriptor: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 Authors: Rondeau, J.M, Bourgier, E. Deposit date: 2012-01-10 Release date: 2012-11-21 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012

人源β分泌酶与NVP-BUR436的复合物晶体结构，源自共结晶实验。
结构描述式：(3R,4S,5S)-3-[(3-叔丁基苄基)氨基]-5-{[3-(2,2-二氟乙基)-1H-吲哚-5-基]甲基}四氢-2H-硫代吡喃-4-醇 1,1-二氧化物
靶标蛋白：β分泌酶1（Beta-secretase 1，BACE1）
作者：Rondeau, J.M.、Bourgier, E.
提交日期：2012-01-10
发布日期：2012-11-21
最后修改日期：2024-11-06
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率2.4埃）
引用文献：《环状砜羟乙基胺类强效选择性β位淀粉样前体蛋白裂解酶1（BACE1）抑制剂的发现：基于结构的设计与体内淀粉样β肽水平降低》，刊载于J.Med.Chem.（《Journal of Medicinal Chemistry》），2012年，第55卷。