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6CQ1

BCL6 BTB domain in complex with 15a

Summary for 6CQ1
Entry DOI10.2210/pdb6cq1/pdb
DescriptorB-cell lymphoma 6 protein, 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide (3 entities in total)
Functional Keywordsprotein protein inhibitor, protein binding, protein binding-inhibitor complex, protein binding/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total formula weight30924.10
Authors
Linhares, B.M.,Cheng, H.,Xue, F.,Cierpicki, T. (deposition date: 2018-03-14, release date: 2019-03-20, 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 (1.69921037793 Å)
Structure validation

217705

数据于2024-03-27公开中

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