9FWX

Crystal structure of BRD4 BD1 with MEN1404BS.

This is a non-PDB format compatible entry.

Summary for 9FWX

• Entry DOI: 10.2210/pdb9fwx/pdb
• Descriptor: Bromodomain-containing protein 4, 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (3 entities in total)
• Functional Keywords: lysine-acetylated histone binding, inhibitor, protein binding
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 15352.68

Authors

Bader, G.,Kessler, D. (deposition date: 2024-07-01, release date: 2024-08-07)

• Primary citation: Beier, A.,Platzer, G.,Hofurthner, T.,Ptaszek, A.L.,Lichtenecker, R.J.,Geist, L.,Fuchs, J.E.,McConnell, D.B.,Mayer, M.,Konrat, R.; Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.; J.Med.Chem., 2024; PubMed: 39069741; DOI: 10.1021/acs.jmedchem.4c01128

Experimental method

X-RAY DIFFRACTION (1.25 Å)