8CVQ

Crystal structure of TDP1 complexed with compound XZ761

Summary for 8CVQ

• Entry DOI: 10.2210/pdb8cvq/pdb
• Descriptor: Tyrosyl-DNA phosphodiesterase 1, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... (5 entities in total)
• Functional Keywords: phosphodiesterase, dna binding protein, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 106004.59

Authors

Lountos, G.T.,Zhao, X.Z.,Wang, W.,Kiselev, E.,Tropea, J.E.,Needle, D.,Pommier, Y.,Burke, T.R. (deposition date: 2022-05-18, release date: 2023-04-12, Last modification date: 2023-10-25)

• Primary citation: Zhao, X.Z.,Wang, W.,Lountos, G.T.,Kiselev, E.,Tropea, J.E.,Needle, D.,Pommier, Y.,Burke Jr., T.R.; Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.; Rsc Chem Biol, 4:334-343, 2023; PubMed: 37181631; DOI: 10.1039/d2cb00230b

Experimental method

X-RAY DIFFRACTION (1.65 Å)