4AKN

N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid

Summary for 4AKN

• Entry DOI: 10.2210/pdb4akn/pdb
• Related: 1X0J 2YDW 2YEK 4A9E 4A9F 4A9H 4A9I 4A9J 4A9M 4A9N 4A9O 4A9P 4ALG
• Descriptor: BROMODOMAIN-CONTAINING PROTEIN 2, 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, ... (6 entities in total)
• Functional Keywords: protein binding, inhibitor, histone, epigenetic reader
• Biological source: HOMO SAPIENS
• Total number of polymer chains: 3
• Total formula weight: 54598.00

Authors

Chung, C.,Lamotte, Y.,Donche, F.,Bouillot, A.,Mirguet, O. (deposition date: 2012-02-26, release date: 2012-07-04, Last modification date: 2024-05-08)

Primary citation

Seal, J.,Lamotte, Y.,Donche, F.,Bouillot, A.,Mirguet, O.,Gellibert, F.,Nicodeme, E.,Krysa, G.,Kirilovsky, J.,Beinke, S.,Mccleary, S.,Rioja, I.,Bamborough, P.,Chung, C.,Gordon, L.,Lewis, T.,Walker, A.L.,Cutler, L.,Lugo, D.,Wilson, D.M.,Witherington, J.,Lee, K.,Prinjha, R.K.
Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22:2968-, 2012

PubMed Abstract: A novel series of quinoline isoxazole BET family bromodomain inhibitors are discussed. Crystallography is used to illustrate binding modes and rationalize their SAR. One member, I-BET151 (GSK1210151A), shows good oral bioavailability in both the rat and minipig as well as demonstrating efficient suppression of bacterial induced inflammation and sepsis in a murine in vivo endotoxaemia model.

PubMed: 22437115
DOI: 10.1016/J.BMCL.2012.02.041

Experimental method

X-RAY DIFFRACTION (1.82 Å)