7Q7V

Crystal structure of human BCL6 BTB domain in complex with compound 12a

Summary for 7Q7V

• Entry DOI: 10.2210/pdb7q7v/pdb
• Descriptor: B-cell lymphoma 6 protein, 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: transcription, inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 17123.10

Authors

Rodrigues, M.J.,Le Bihan, Y.-V.,van Montfort, R.L.M. (deposition date: 2021-11-09, release date: 2022-06-15, Last modification date: 2024-01-31)

• Primary citation: Davis, O.A.,Cheung, K.J.,Brennan, A.,Lloyd, M.G.,Rodrigues, M.J.,Pierrat, O.A.,Collie, G.W.,Le Bihan, Y.V.,Huckvale, R.,Harnden, A.C.,Varela, A.,Bright, M.D.,Eve, P.,Hayes, A.,Henley, A.T.,Carter, M.D.,McAndrew, P.C.,Talbot, R.,Burke, R.,van Montfort, R.L.M.,Raynaud, F.I.,Rossanese, O.W.,Meniconi, M.,Bellenie, B.R.,Hoelder, S.; Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.; J.Med.Chem., 65:8169-8190, 2022; PubMed: 35657291; DOI: 10.1021/acs.jmedchem.1c02174

Experimental method

X-RAY DIFFRACTION (1.81 Å)