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: 34582215DOI: 10.1021/acs.jmedchem.1c01119 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
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