4LRG

Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide

Summary for 4LRG

• Entry DOI: 10.2210/pdb4lrg/pdb
• Related: 4LR6
• Descriptor: Bromodomain-containing protein 4, 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide (3 entities in total)
• Functional Keywords: bet inhibitor, brd4 first bromodomain, transcription regulator-inhibitor complex, transcription regulator/inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus: O60885
• Total number of polymer chains: 1
• Total formula weight: 15526.23

Authors

Ravichandran, S.,Jayaram, H.,Poy, F.,Gehling, V.,Hewitt, M.,Vaswani, R.,Leblanc, Y.,Cote, A.,Nasveschuk, C.,Taylor, A.,Harmange, J.-C.,Audia, J.,Pardo, E.,Joshi, S.,Sandy, P.,Mertz, J.,Sims, R.,Bergeron, L.,Bryant, B.,Yellapuntala, S.,Nandana, B.S.,Birudukota, S.,Albrecht, B.,Bellon, S. (deposition date: 2013-07-19, release date: 2013-08-07, Last modification date: 2024-02-28)

• Primary citation: Gehling, V.S.,Hewitt, M.C.,Vaswani, R.G.,Leblanc, Y.,Cote, A.,Nasveschuk, C.G.,Taylor, A.M.,Harmange, J.C.,Audia, J.E.,Pardo, E.,Joshi, S.,Sandy, P.,Mertz, J.A.,Sims, R.J.,Bergeron, L.,Bryant, B.M.,Bellon, S.,Poy, F.,Jayaram, H.,Sankaranarayanan, R.,Yellapantula, S.,Bangalore Srinivasamurthy, N.,Birudukota, S.,Albrecht, B.K.; Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.; ACS Med Chem Lett, 4:835-840, 2013; PubMed: 24900758; DOI: 10.1021/ml4001485

Experimental method

X-RAY DIFFRACTION (2.21 Å)