7P6V

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag

これはPDB形式変換不可エントリーです。

7P6V の概要

• エントリーDOI: 10.2210/pdb7p6v/pdb
• 分子名称: Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate (3 entities in total)
• 機能のキーワード: inhibitor, histone, epigenetic reader, bromodomain, brd4, bromodomain containing protein 4, antagonist, 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: 15827.06

構造登録者

Chung, C. (登録日: 2021-07-18, 公開日: 2021-10-06, 最終更新日: 2024-06-19)

主引用文献

Fallon, D.J.,Lehmann, S.,Chung, C.W.,Phillipou, A.,Eberl, C.,Fantom, K.G.M.,Zappacosta, F.,Patel, V.K.,Bantscheff, M.,Schofield, C.J.,Tomkinson, N.C.O.,Bush, J.T.
One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27:17880-17888, 2021

PubMed Abstract: We present a one-step Ugi reaction protocol for the expedient synthesis of photoaffinity probes for live-cell MS-based proteomics. The reaction couples an amine affinity function with commonly used photoreactive groups, and a variety of handle functionalities. Using this technology, a series of pan-BET (BET: bromodomain and extra-terminal domain) selective bromodomain photoaffinity probes were obtained by parallel synthesis. Studies on the effects of photoreactive group, linker length and irradiation wavelength on photocrosslinking efficiency provide valuable insights into photoaffinity probe design. Optimal probes were progressed to MS-based proteomics to capture the BET family of proteins from live cells and reveal their potential on- and off-target profiles.

PubMed: 34328642
DOI: 10.1002/chem.202102036

実験手法

X-RAY DIFFRACTION (1.17 Å)