7Q7R

Crystal structure of human BCL6 BTB domain in complex with compound 1

Summary for 7Q7R

Entry DOI	10.2210/pdb7q7r/pdb
Descriptor	B-cell lymphoma 6 protein, 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	transcription, inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	16992.27
Authors	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 Cited by PubMed: 35657291 DOI: 10.1021/acs.jmedchem.1c02174 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation