7AXR

Crystal structure of BRD4(1) bound to the dual BET-HDAC inhibitor LSH24

Summary for 7AXR

Entry DOI	10.2210/pdb7axr/pdb
Descriptor	Bromodomain-containing protein 4, 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide (3 entities in total)
Functional Keywords	brd4(1), brd4, bd1, first bromodomain, bromodomain, bet, hdac, beti, hdaci, dual inhibitor, lsh24, protein binding
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15814.19
Authors	Huegle, M. (deposition date: 2020-11-10, release date: 2021-10-06, Last modification date: 2024-01-31)
Primary citation	Schaker-Hubner, L.,Warstat, R.,Ahlert, H.,Mishra, P.,Kraft, F.B.,Schliehe-Diecks, J.,Scholer, A.,Borkhardt, A.,Breit, B.,Bhatia, S.,Hugle, M.,Gunther, S.,Hansen, F.K. 4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads. J.Med.Chem., 64:14620-14646, 2021 Cited by PubMed: 34582215 DOI: 10.1021/acs.jmedchem.1c01119 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation