7LWG

Crystal structure of the BCL6 BTB domain in complex with OICR-12694

Summary for 7LWG

• Entry DOI: 10.2210/pdb7lwg/pdb
• Related: 7LWE 7LWF
• Descriptor: B-cell lymphoma 6 protein, 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide, GLYCEROL, ... (5 entities in total)
• Functional Keywords: immunity, inflammatory response, transcription repressor, transcription-inhibitor complex, transcription/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 30377.70

Authors

Kuntz, D.A.,Prive, G.G. (deposition date: 2021-03-01, release date: 2022-03-09, Last modification date: 2023-10-25)

• Primary citation: Mamai, A.,Chau, A.M.,Wilson, B.J.,Watson, I.D.,Joseph, B.B.,Subramanian, P.R.,Morshed, M.M.,Morin, J.A.,Prakesch, M.A.,Lu, T.,Connolly, P.,Kuntz, D.A.,Pomroy, N.C.,Poda, G.,Nguyen, K.,Marcellus, R.,Strathdee, G.,Theriault, B.,Subramaniam, R.,Mohammed, M.,Abibi, A.,Chan, M.,Winston, J.,Kiyota, T.,Undzys, E.,Aman, A.,Austin, N.,Du Jardin, M.,Packman, K.,Phillippar, U.,Attar, R.,Edwards, J.,O'Meara, J.,Uehling, D.E.,Al-Awar, R.,Prive, G.G.,Isaac, M.B.; Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.; Acs Med.Chem.Lett., 14:199-210, 2023; PubMed: 36793435; DOI: 10.1021/acsmedchemlett.2c00502

Experimental method