6U8L

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction

Summary for 6U8L

• Entry DOI: 10.2210/pdb6u8l/pdb
• Descriptor: WD repeat-containing protein 5, 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid, N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine, ... (4 entities in total)
• Functional Keywords: wdr5, myc, rbbp5, structure-based design, high-throughput screening, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 68603.36

Authors

Zhao, B.,Wang, F. (deposition date: 2019-09-05, release date: 2019-12-04, Last modification date: 2023-10-11)

• Primary citation: Macdonald, J.D.,Chacon Simon, S.,Han, C.,Wang, F.,Shaw, J.G.,Howes, J.E.,Sai, J.,Yuh, J.P.,Camper, D.,Alicie, B.M.,Alvarado, J.,Nikhar, S.,Payne, W.,Aho, E.R.,Bauer, J.A.,Zhao, B.,Phan, J.,Thomas, L.R.,Rossanese, O.W.,Tansey, W.P.,Waterson, A.G.,Stauffer, S.R.,Fesik, S.W.; Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.; J.Med.Chem., 62:11232-11259, 2019; PubMed: 31724864; DOI: 10.1021/acs.jmedchem.9b01411

Experimental method

X-RAY DIFFRACTION (1.57 Å)