6TOL

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

Summary for 6TOL

Entry DOI	10.2210/pdb6tol/pdb
Descriptor	B-cell lymphoma 6 protein, 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywords	cancer, lymphoma, inhibitor, degrader, transcription
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	17548.61
Authors	Rodrigues, M.J.,Le Bihan, Y.-V.,van Montfort, R.L.M. (deposition date: 2019-12-11, release date: 2020-04-22, Last modification date: 2024-01-24)
Primary citation	Bellenie, B.R.,Cheung, K.J.,Varela, A.,Pierrat, O.A.,Collie, G.W.,Box, G.M.,Bright, M.D.,Gowan, S.,Hayes, A.,Rodrigues, M.J.,Shetty, K.N.,Carter, M.,Davis, O.A.,Henley, A.T.,Innocenti, P.,Johnson, L.D.,Liu, M.,de Klerk, S.,Le Bihan, Y.V.,Lloyd, M.G.,McAndrew, P.C.,Shehu, E.,Talbot, R.,Woodward, H.L.,Burke, R.,Kirkin, V.,van Montfort, R.L.M.,Raynaud, F.I.,Rossanese, O.W.,Hoelder, S. AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63:4047-4068, 2020 Cited by PubMed: 32275432 DOI: 10.1021/acs.jmedchem.9b02076 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.64 Å)

Structure validation