5D3P

First bromodomain of BRD4 bound to inhibitor XD41

Summary for 5D3P

• Entry DOI: 10.2210/pdb5d3p/pdb
• Descriptor: Bromodomain-containing protein 4, 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide, NICKEL (II) ION, ... (4 entities in total)
• Functional Keywords: gene regulation, bromodomain, inhibitor, transcription
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus: O60885
• Total number of polymer chains: 1
• Total formula weight: 15545.53

Authors

Wohlwend, D.,Huegle, M. (deposition date: 2015-08-06, release date: 2016-01-20, Last modification date: 2017-09-06)

• Primary citation: Hugle, M.,Lucas, X.,Weitzel, G.,Ostrovskyi, D.,Breit, B.,Gerhardt, S.,Einsle, O.,Gunther, S.,Wohlwend, D.; 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).; J.Med.Chem., 59:1518-1530, 2016; PubMed: 26731611; DOI: 10.1021/acs.jmedchem.5b01267

Experimental method

X-RAY DIFFRACTION (1.95 Å)