8P01

Crystal structure of human STING ectodomain in complex with BI 7446, a potent cyclic dinucleotide STING agonist with broad-spectrum variant activity for the treatment of cancer

Summary for 8P01

• Entry DOI: 10.2210/pdb8p01/pdb
• Descriptor: Stimulator of interferon genes protein, 3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one (3 entities in total)
• Functional Keywords: agonist, complex, innate immune response, immune system
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 29037.33

Authors

Nar, H. (deposition date: 2023-05-09, release date: 2023-07-26, Last modification date: 2023-08-09)

• Primary citation: Kuttruff, C.A.,Fleck, M.,Carotta, S.,Arnhof, H.,Bretschneider, T.,Dahmann, G.,Gremel, G.,Grube, A.,Handschuh, S.,Heimann, A.,Hofmann, M.H.,Impagnatiello, M.A.,Nar, H.,Rast, G.,Schaaf, O.,Schmidt, E.,Oost, T.; Discovery of BI 7446: A Potent Cyclic Dinucleotide STING Agonist with Broad-Spectrum Variant Activity for the Treatment of Cancer.; J.Med.Chem., 66:9376-9400, 2023; PubMed: 37450324; DOI: 10.1021/acs.jmedchem.3c00510

Experimental method

X-RAY DIFFRACTION (2.094 Å)