8C78

Crystal structure of human BCL6 BTB domain in complex with compound CCT374705

Summary for 8C78

• Entry DOI: 10.2210/pdb8c78/pdb
• Descriptor: B-cell lymphoma 6 protein, (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: inhibitor, cancer, lymphoma, transcription
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 17268.97

Authors

Le Bihan, Y.-V.,van Montfort, R.L.M. (deposition date: 2023-01-13, release date: 2023-04-26, Last modification date: 2023-05-24)

• Primary citation: Harnden, A.C.,Davis, O.A.,Box, G.M.,Hayes, A.,Johnson, L.D.,Henley, A.T.,de Haven Brandon, A.K.,Valenti, M.,Cheung, K.J.,Brennan, A.,Huckvale, R.,Pierrat, O.A.,Talbot, R.,Bright, M.D.,Akpinar, H.A.,Miller, D.S.J.,Tarantino, D.,Gowan, S.,de Klerk, S.,McAndrew, P.C.,Le Bihan, Y.V.,Meniconi, M.,Burke, R.,Kirkin, V.,van Montfort, R.L.M.,Raynaud, F.I.,Rossanese, O.W.,Bellenie, B.R.,Hoelder, S.; Discovery of an In Vivo Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones.; J.Med.Chem., 66:5892-5906, 2023; PubMed: 37026591; DOI: 10.1021/acs.jmedchem.3c00155

Experimental method

X-RAY DIFFRACTION (1.8 Å)