5MRI

Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18

5MRI の概要

• エントリーDOI: 10.2210/pdb5mri/pdb
• 分子名称: Sortilin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (6 entities in total)
• 機能のキーワード: vps10p, receptor, sortilin, signaling protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 79235.28

構造登録者

Andersen, J.L.,Strandbygaard, D.,Thirup, S. (登録日: 2016-12-23, 公開日: 2017-05-17, 最終更新日: 2024-11-20)

主引用文献

Andersen, J.L.,Lindberg, S.,Langgard, M.,Maltas, P.J.,Ronn, L.C.B.,Bundgaard, C.,Strandbygaard, D.,Thirup, S.,Watson, S.P.
The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27:2629-2633, 2017

PubMed Abstract: Using fragment based and structure based drug discovery strategies a series of novel Sortilin inhibitors has been identified. The inhibitors are based on the N-substituted 1,2,3-triazol-4-one/ol heterocyclic template. X-ray crystallography shows that the 1,2,3-triazol-4-one/ol acts as a carboxylic acid isostere, making a bi-dentate interaction with an arginine residue of Sortilin, an interaction which has not been previously characterised for this heterocycle.

PubMed: 28462834
DOI: 10.1016/j.bmcl.2017.02.028

実験手法

X-RAY DIFFRACTION (2 Å)