5NGZ

Ube2T in complex with fragment EM04

5NGZ の概要

• エントリーDOI: 10.2210/pdb5ngz/pdb
• 分子名称: Ubiquitin-conjugating enzyme E2 T, 1-(1,3-benzothiazol-2-yl)methanamine (3 entities in total)
• 機能のキーワード: ubiquitin-conjugating enzyme ube2t, fragment screening, fanconi anemia pathway, dna repair, ligase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : Q9NPD8
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 22718.10

構造登録者

Morreale, F.E.,Bortoluzzi, A.,Chaugule, V.K.,Arkinson, C.,Walden, H.,Ciulli, A. (登録日: 2017-03-21, 公開日: 2017-05-03, 最終更新日: 2024-01-17)

主引用文献

Morreale, F.E.,Bortoluzzi, A.,Chaugule, V.K.,Arkinson, C.,Walden, H.,Ciulli, A.
Allosteric Targeting of the Fanconi Anemia Ubiquitin-Conjugating Enzyme Ube2T by Fragment Screening.
J. Med. Chem., 60:4093-4098, 2017

PubMed Abstract: Ube2T is the E2 ubiquitin-conjugating enzyme of the Fanconi anemia DNA repair pathway and it is overexpressed in several cancers, representing an attractive target for the development of inhibitors. Despite the extensive efforts in targeting the ubiquitin system, very few E2 binders have currently been discovered. Herein we report the identification of a new allosteric pocket on Ube2T through a fragment screening using biophysical methods. Several fragments binding to this site inhibit ubiquitin conjugation in vitro.

PubMed: 28437106
DOI: 10.1021/acs.jmedchem.7b00147

実験手法

X-RAY DIFFRACTION (2.4 Å)