7QK0

Crystal structure of human BCL6 BTB domain in complex with compound 12a

Summary for 7QK0

• Entry DOI: 10.2210/pdb7qk0/pdb
• Descriptor: B-cell lymphoma 6 protein, (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, CHLORIDE ION, ... (6 entities in total)
• Functional Keywords: inhibitor, transcription
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 17361.81

Authors

Gunnell, E.A.,Le Bihan, Y.-V.,van Montfort, R.L.M. (deposition date: 2021-12-17, release date: 2022-06-15, Last modification date: 2024-01-31)

• Primary citation: Huckvale, R.,Harnden, A.C.,Cheung, K.J.,Pierrat, O.A.,Talbot, R.,Box, G.M.,Henley, A.T.,de Haven Brandon, A.K.,Hallsworth, A.E.,Bright, M.D.,Akpinar, H.A.,Miller, D.S.J.,Tarantino, D.,Gowan, S.,Hayes, A.,Gunnell, E.A.,Brennan, A.,Davis, O.A.,Johnson, L.D.,de Klerk, S.,McAndrew, C.,Le Bihan, Y.V.,Meniconi, M.,Burke, R.,Kirkin, V.,van Montfort, R.L.M.,Raynaud, F.I.,Rossanese, O.W.,Bellenie, B.R.,Hoelder, S.; Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .; J.Med.Chem., 65:8191-8207, 2022; PubMed: 35653645; DOI: 10.1021/acs.jmedchem.1c02175

Experimental method

X-RAY DIFFRACTION (1.96 Å)