7OKD

Crystal structure of human BCL6 BTB domain in complex with compound 25

Summary for 7OKD

• Entry DOI: 10.2210/pdb7okd/pdb
• Descriptor: B-cell lymphoma 6 protein, 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: cancer, lymphoma, inhibitor, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 17327.39

Authors

Gunnell, E.A.,Le Bihan, Y.-V.,van Montfort, R.L.M. (deposition date: 2021-05-17, release date: 2021-12-08, Last modification date: 2024-01-31)

• Primary citation: Lloyd, M.G.,Huckvale, R.,Cheung, K.J.,Rodrigues, M.J.,Collie, G.W.,Pierrat, O.A.,Gatti Iou, M.,Carter, M.,Davis, O.A.,McAndrew, P.C.,Gunnell, E.,Le Bihan, Y.V.,Talbot, R.,Henley, A.T.,Johnson, L.D.,Hayes, A.,Bright, M.D.,Raynaud, F.I.,Meniconi, M.,Burke, R.,van Montfort, R.L.M.,Rossanese, O.W.,Bellenie, B.R.,Hoelder, S.; Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.; J.Med.Chem., 64:17079-17097, 2021; PubMed: 34846884; DOI: 10.1021/acs.jmedchem.1c00946

Experimental method

X-RAY DIFFRACTION (1.94 Å)