7ZWW

Crystal structure of human BCL6 BTB domain in complex with compound 18

Summary for 7ZWW

• Entry DOI: 10.2210/pdb7zww/pdb
• Descriptor: B-cell lymphoma 6 protein, 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: inhibitor, cancer, transcription
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 16963.47

Authors

Rodrigues, M.J.,Le Bihan, Y.-V.,van Montfort, R.L.M. (deposition date: 2022-05-19, release date: 2022-11-16, Last modification date: 2024-01-31)

• Primary citation: Pierrat, O.A.,Liu, M.,Collie, G.W.,Shetty, K.,Rodrigues, M.J.,Le Bihan, Y.V.,Gunnell, E.A.,McAndrew, P.C.,Stubbs, M.,Rowlands, M.G.,Yahya, N.,Shehu, E.,Talbot, R.,Pickard, L.,Bellenie, B.R.,Cheung, K.J.,Drouin, L.,Innocenti, P.,Woodward, H.,Davis, O.A.,Lloyd, M.G.,Varela, A.,Huckvale, R.,Broccatelli, F.,Carter, M.,Galiwango, D.,Hayes, A.,Raynaud, F.I.,Bryant, C.,Whittaker, S.,Rossanese, O.W.,Hoelder, S.,Burke, R.,van Montfort, R.L.M.; Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.; Sci Rep, 12:18633-18633, 2022; PubMed: 36329085; DOI: 10.1038/s41598-022-23264-z

Experimental method

X-RAY DIFFRACTION (1.67 Å)