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5N21

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

Summary for 5N21
Entry DOI10.2210/pdb5n21/pdb
DescriptorB-cell lymphoma 6 protein, CHLORIDE ION, 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, ... (4 entities in total)
Functional Keywordskinase, transferase
Biological sourceHomo sapiens (Human)
Cellular locationNucleus : P41182
Total number of polymer chains2
Total formula weight29134.63
Authors
Robb, G.,Ferguson, A.,Hargreaves, D. (deposition date: 2017-02-06, release date: 2017-05-17, Last modification date: 2017-06-07)
Primary citationMcCoull, 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 (1.58 Å)
Structure validation

217705

数据于2024-03-27公开中

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