8STI

human STING with agonist XMT-1616

Summary for 8STI

Entry DOI	10.2210/pdb8sti/pdb
Descriptor	Stimulator of interferon genes protein, 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide (3 entities in total)
Functional Keywords	agonist, sting, immune system, immune system-agonist complex, immune system/agonist
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	22242.92
Authors	Duvall, J.R.,Bukhalid, R.A. (deposition date: 2023-05-10, release date: 2023-07-26, Last modification date: 2023-08-16)
Primary citation	Duvall, J.R.,Thomas, J.D.,Bukhalid, R.A.,Catcott, K.C.,Bentley, K.W.,Collins, S.D.,Eitas, T.,Jones, B.D.,Kelleher, E.W.,Lancaster, K.,Protopopova, M.,Ray, S.S.,Ter-Ovanesyan, E.,Xu, L.,Yang, L.,Zurita, J.,Damelin, M.,Toader, D.,Lowinger, T.B. Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. J.Med.Chem., 66:10715-10733, 2023 Cited by PubMed: 37486969 DOI: 10.1021/acs.jmedchem.3c00907 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.72 Å)

Structure validation