4C52

Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)

Summary for 4C52

• Entry DOI: 10.2210/pdb4c52/pdb
• Related: 4C5D
• Descriptor: BCL-2-LIKE PROTEIN 1, (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, SULFATE ION, ... (5 entities in total)
• Functional Keywords: apoptosis
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Isoform Bcl-X(L): Mitochondrion inner membrane : Q07817
• Total number of polymer chains: 2
• Total formula weight: 38258.32

Authors

Roy, M.J.,Brady, R.M.,Lessene, G.,Colman, P.M.,Czabotar, P.E. (deposition date: 2013-09-10, release date: 2014-02-05, Last modification date: 2023-12-20)

• Primary citation: Brady, R.M.,Vom, A.,Roy, M.J.,Toovey, N.,Smith, B.J.,Moss, R.M.,Hazis, E.,Huang, D.C.S.,Parisot, J.P.,Yang, H.,Street, I.P.,Colman, P.M.,Czabotar, P.E.,Baell, J.B.,Lessene, G.; De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.; J.Med.Chem., 57:1323-, 2014; PubMed: 24456288; DOI: 10.1021/JM401948B

Experimental method

X-RAY DIFFRACTION (2.049 Å)