5WA5

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50

Summary for 5WA5

• Entry DOI: 10.2210/pdb5wa5/pdb
• Descriptor: Bromodomain-containing protein 4, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: kinase, inhibitor, cell cycle, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 15764.11

Authors

Xu, X.,Blacklow, S.C. (deposition date: 2017-06-24, release date: 2018-07-04, Last modification date: 2023-10-04)

• Primary citation: Wang, J.,Erazo, T.,Ferguson, F.M.,Buckley, D.L.,Gomez, N.,Munoz-Guardiola, P.,Dieguez-Martinez, N.,Deng, X.,Hao, M.,Massefski, W.,Fedorov, O.,Offei-Addo, N.K.,Park, P.M.,Dai, L.,DiBona, A.,Becht, K.,Kim, N.D.,McKeown, M.R.,Roberts, J.M.,Zhang, J.,Sim, T.,Alessi, D.R.,Bradner, J.E.,Lizcano, J.M.,Blacklow, S.C.,Qi, J.,Xu, X.,Gray, N.S.; Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.; ACS Chem. Biol., 13:2438-2448, 2018; PubMed: 30102854; DOI: 10.1021/acschembio.7b00638

Experimental method

X-RAY DIFFRACTION (1.172 Å)