4ALG
N-Terminal Bromodomain of Human BRD2 With IBET-151
Summary for 4ALG
| Entry DOI | 10.2210/pdb4alg/pdb |
| Related | 1X0J 2YDW 2YEK 4A9E 4A9F 4A9H 4A9I 4A9J 4A9M 4A9N 4A9O 4AKN 4ALH |
| Descriptor | BROMODOMAIN-CONTAINING PROTEIN 2, ACETATE ION, GLYCEROL, ... (5 entities in total) |
| Functional Keywords | signaling protein, inhibitor, histone, epigenetic reader |
| Biological source | HOMO SAPIENS (HUMAN) |
| Total number of polymer chains | 1 |
| Total formula weight | 18475.31 |
| Authors | Chung, C.,Lamotte, Y.,Donche, F.,Bouillot, A.,Mirguet, O. (deposition date: 2012-03-03, 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 Cited by 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: 22437115DOI: 10.1016/J.BMCL.2012.02.041 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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