7P6Y

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef

This is a non-PDB format compatible entry.

Summary for 7P6Y

• Entry DOI: 10.2210/pdb7p6y/pdb
• Related: 7P6V 7P6W
• Descriptor: Bromodomain-containing protein 4, 4-benzoyl-N-(2-(2-(2-((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)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide (3 entities in total)
• Functional Keywords: inhibitor, histone, epigenetic reader, bromodomain, brd4, bromodomain containing protein 4, antagonist, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 31976.85

Authors

Chung, C. (deposition date: 2021-07-18, release date: 2021-10-06, Last modification date: 2024-05-01)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.881 Å)