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6C3L

Crystal structure of BCL6 BTB domain with compound 15f

Summary for 6C3L
Entry DOI10.2210/pdb6c3l/pdb
DescriptorB-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea (3 entities in total)
Functional Keywordsinhibitor, protein-protein interaction, protein binding, protein binding-inhibitor complex, protein binding/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total formula weight30980.12
Authors
Linhares, B.,Cheng, H.,Cierpicki, T.,Xue, F. (deposition date: 2018-01-10, release date: 2019-01-16, Last modification date: 2023-10-04)
Primary citationCheng, H.,Linhares, B.M.,Yu, W.,Cardenas, M.G.,Ai, Y.,Jiang, W.,Winkler, A.,Cohen, S.,Melnick, A.,MacKerell Jr., A.,Cierpicki, T.,Xue, F.
Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61:7573-7588, 2018
Cited by
PubMed: 29969259
DOI: 10.1021/acs.jmedchem.8b00040
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.46092157578 Å)
Structure validation

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