4N7E

Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469

4N7E の概要

• エントリーDOI: 10.2210/pdb4n7e/pdb
• 関連するPDBエントリー: 3F6K 4MSL
• 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: sortilin, small molecule ligand, af38469, af40431, prongf, alzheimer's disease, beta-propeller asp-box repeat, vps10p domain, 10cc domain, receptor sorting, membrane, 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: 79276.25

構造登録者

Andersen, J.L.,Strandbygaard, D.,Thirup, S. (登録日: 2013-10-15, 公開日: 2014-01-22, 最終更新日: 2024-10-30)

主引用文献

Schrder, T.J.,Christensen, S.,Lindberg, S.,Langgard, M.,David, L.,Maltas, P.J.,Eskildsen, J.,Jacobsen, J.,Tagmose, L.,Simonsen, K.B.,Biilmann Rnn, L.C.,de Jong, I.E.,Malik, I.J.,Karlsson, J.J.,Bundgaard, C.,Egebjerg, J.,Stavenhagen, J.B.,Strandbygard, D.,Thirup, S.,Andersen, J.L.,Uppalanchi, S.,Pervaram, S.,Kasturi, S.P.,Eradi, P.,Sakumudi, D.R.,Watson, S.P.
The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24:177-180, 2014

PubMed Abstract: The identification of the novel, selective, orally bioavailable Sortilin inhibitor AF38469 is described. Structure-activity relationships and syntheses are reported, along with an X-ray crystal structure of the sortilin-AF38469 protein-inhibitor complex.

PubMed: 24355129
DOI: 10.1016/j.bmcl.2013.11.046

実験手法

X-RAY DIFFRACTION (2.7 Å)