5DLX

FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide

Summary for 5DLX

• Entry DOI: 10.2210/pdb5dlx/pdb
• Descriptor: Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (3 entities in total)
• Functional Keywords: inhibitor, histone, epigenetic reader, bromodomain, brd4, brd4_bd1, transcription
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus: O60885
• Total number of polymer chains: 1
• Total formula weight: 15596.42

Authors

Raux, B.,Rebuffet, E.,Betzi, S.,Morelli, X. (deposition date: 2015-09-07, release date: 2016-06-01, Last modification date: 2024-01-10)

• Primary citation: Milhas, S.,Raux, B.,Betzi, S.,Derviaux, C.,Roche, P.,Restouin, A.,Basse, M.J.,Rebuffet, E.,Lugari, A.,Badol, M.,Kashyap, R.,Lissitzky, J.C.,Eydoux, C.,Hamon, V.,Gourdel, M.E.,Combes, S.,Zimmermann, P.,Aurrand-Lions, M.,Roux, T.,Rogers, C.,Muller, S.,Knapp, S.,Trinquet, E.,Collette, Y.,Guillemot, J.C.,Morelli, X.; Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.; Acs Chem.Biol., 11:2140-2148, 2016; PubMed: 27219844; DOI: 10.1021/acschembio.6b00286

Experimental method

X-RAY DIFFRACTION (1.9 Å)