7Q3F

Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484

Summary for 7Q3F

• Entry DOI: 10.2210/pdb7q3f/pdb
• Related: 7Q5O
• Descriptor: Bromodomain-containing protein 4, 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide (3 entities in total)
• Functional Keywords: epigenetic, inhibition, inhibitor, selectivity, complex, bdii, protein binding
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 15608.98

Authors

Carrasco, K.,Betzi, S.,Morelli, X. (deposition date: 2021-10-27, release date: 2022-04-20, Last modification date: 2024-01-31)

• Primary citation: Carrasco, K.,Montersino, C.,Derviaux, C.,Saez-Ayala, M.,Hoffer, L.,Restouin, A.,Castellano, R.,Casassa, J.,Roche, P.,Pasquier, E.,Combes, S.,Morelli, X.,Collette, Y.,Betzi, S.; CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation; J.Med.Chem., 65:5660-5674, 2022; DOI: 10.1021/acs.jmedchem.1c02168

Experimental method

X-RAY DIFFRACTION (1.21 Å)