5N20

Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand

Summary for 5N20

Entry DOI	10.2210/pdb5n20/pdb
Descriptor	B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide (3 entities in total)
Functional Keywords	kinase, transferase
Biological source	Homo sapiens (Human)
Cellular location	Nucleus : P41182
Total number of polymer chains	1
Total formula weight	14675.05
Authors	Robb, G.,Ferguson, A.,Hargreaves, D. (deposition date: 2017-02-06, release date: 2017-05-17, Last modification date: 2017-06-07)
Primary citation	McCoull, W.,Abrams, R.D.,Anderson, E.,Blades, K.,Barton, P.,Box, M.,Burgess, J.,Byth, K.,Cao, Q.,Chuaqui, C.,Carbajo, R.J.,Cheung, T.,Code, E.,Ferguson, A.D.,Fillery, S.,Fuller, N.O.,Gangl, E.,Gao, N.,Grist, M.,Hargreaves, D.,Howard, M.R.,Hu, J.,Kemmitt, P.D.,Nelson, J.E.,O'Connell, N.,Prince, D.B.,Raubo, P.,Rawlins, P.B.,Robb, G.R.,Shi, J.,Waring, M.J.,Whittaker, D.,Wylot, M.,Zhu, X. Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60:4386-4402, 2017 Cited by PubMed: 28485934 DOI: 10.1021/acs.jmedchem.7b00359 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.38 Å)

Structure validation