8RPO

BFL1 in complex with a reversible covalent ligand

This is a non-PDB format compatible entry.

Summary for 8RPO

• Entry DOI: 10.2210/pdb8rpo/pdb
• Descriptor: Bcl-2-related protein A1, (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide (3 entities in total)
• Functional Keywords: bfl bcl covalent, apoptosis
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 17889.29

Authors

Hargreaves, D. (deposition date: 2024-01-16, release date: 2024-07-03)

• Primary citation: Lucas, S.C.C.,Blackwell, J.H.,Borjesson, U.,Hargreaves, D.,Milbradt, A.G.,Ahmed, S.,Bostock, M.J.,Guerot, C.,Gohlke, A.,Kinzel, O.,Lamb, M.L.,Selmi, N.,Stubbs, C.J.,Su, N.,Su, Q.,Luo, H.,Xiong, T.,Zuo, X.,Bazzaz, S.,Bienstock, C.,Centrella, P.A.,Denton, K.E.,Gikunju, D.,Guie, M.A.,Guilinger, J.P.,Hupp, C.,Keefe, A.D.,Satoh, T.,Zhang, Y.,Rivers, E.L.; Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.; Acs Med.Chem.Lett., 15:791-797, 2024; PubMed: 38894895; DOI: 10.1021/acsmedchemlett.4c00113

Experimental method

X-RAY DIFFRACTION (1.791 Å)