Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476)

Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476) Descriptor: 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. Deposit date: 2013-09-24 Release date: 2014-04-30 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.558 Å) Cite: Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014

本数据集记录了布氏锥虫（Trypanosoma brucei）甲硫氨酰-tRNA合成酶（methionyl-tRNA synthetase）与抑制剂1-(3-{[2-(苄氧基)-5-氯-3-(丙-2-烯-1-基)苄基]氨基}丙基)-3-噻吩-3-基脲（Chem 1476）形成的复合物。复合物组分包含1-(3-{[2-(苄氧基)-5-氯-3-(丙-2-烯-1-基)苄基]氨基}丙基)-3-噻吩-3-基脲、二甲基亚砜（DIMETHYL SULFOXIDE）、甘油（GLYCEROL）等。作者包括Koh, C.Y、Kim, J.E、Wetzel, A.B、de van der Schueren, W.J、Shibata, S、Liu, J、Zhang, Z、Fan, E、Verlinde, C.L.M.J、Hol, W.G.J.。数据提交日期：2013-09-24；发布日期：2014-04-30；最后更新日期：2024-11-06。实验采用X射线衍射（X-RAY DIFFRACTION）方法，解析分辨率为2.558埃（Å）。引用文献：《布氏锥虫甲硫氨酰-tRNA合成酶与脲基类抑制剂复合物结构为昏睡病药物研发提供指导》，发表于《PLOS被忽视的热带病》（Plos Negl Trop Dis）2014年第8卷。