6HPW

Crystal structure of ENL (MLLT1) in complex with compound 20

6HPW の概要

• エントリーDOI: 10.2210/pdb6hpw/pdb
• 関連するPDBエントリー: 6HPX 6HPY 6HPZ 6HQ0
• 分子名称: Protein ENL, 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, ... (4 entities in total)
• 機能のキーワード: yeats domain, inhibitor complex, structural genomics, structural genomics consortium, sgc, transcription
• 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: 19282.96

構造登録者

Heidenreich, D.,Chaikuad, A.,Moustakim, M.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Brennan, P.E.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2018-09-22, 公開日: 2018-11-28, 最終更新日: 2024-01-24)

主引用文献

Heidenreich, D.,Moustakim, M.,Schmidt, J.,Merk, D.,Brennan, P.E.,Fedorov, O.,Chaikuad, A.,Knapp, S.
Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61:10929-10934, 2018

PubMed Abstract: Lysine acetylation is an epigenetic mark that is principally recognized by bromodomains, and recently structurally diverse YEATS domains also emerged as readers of lysine acetyl/acylations. Here we present a crystallography-based strategy and the discovery of fragments binding to the ENL YEATS domain, a potential drug target. Crystal structures combined with synthetic efforts led to the identification of a submicromolar binder, providing first starting points for the development of chemical probes for this reader domain family.

PubMed: 30407816
DOI: 10.1021/acs.jmedchem.8b01457

実験手法

X-RAY DIFFRACTION (1.9 Å)