5EK9

Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor

Summary for 5EK9

Entry DOI	10.2210/pdb5ek9/pdb
Descriptor	Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate (3 entities in total)
Functional Keywords	chromatin and transcription regulator, acetylation, structural genomics, structural genomics consortium, sgc, transcription
Biological source	Homo sapiens (Human)
Cellular location	Nucleus : P25440
Total number of polymer chains	2
Total formula weight	27463.65
Authors	Tallant, C.,Slavish, P.J.,Siejka, P.,Bharatham, N.,Shadrick, W.R.,Chai, S.,Young, B.M.,Boyd, V.A.,Heroven, C.,Picaud, S.,Fedorov, O.,Chen, T.,Lee, R.E.,Guy, R.K.,Shelat, A.A.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2015-11-03, release date: 2016-11-16, Last modification date: 2018-01-17)
Primary citation	Shadrick, W.R.,Slavish, P.J.,Chai, S.C.,Waddell, B.,Connelly, M.,Low, J.A.,Tallant, C.,Young, B.M.,Bharatham, N.,Knapp, S.,Boyd, V.A.,Morfouace, M.,Roussel, M.F.,Chen, T.,Lee, R.E.,Kiplin Guy, R.,Shelat, A.A.,Potter, P.M. Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg. Med. Chem., 26:25-36, 2018 Cited by PubMed: 29170024 DOI: 10.1016/j.bmc.2017.10.042 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.08 Å)

Structure validation