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TitleDiscovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 10715-10733, Year 2023
Publish dateMay 10, 2023 (structure data deposition date)
AuthorsDuvall, 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. ...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.
External linksJ. Med. Chem. / PubMed:37486969
MethodsX-ray diffraction
Resolution1.72 - 1.97 Å
Structure data

PDB-8sth:
human STING with diABZI agonist 15
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-8sti:
human STING with agonist XMT-1616
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

Chemicals

ChemComp-WWU:
1-[(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]-7-methoxy-1H-benzimidazole-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-WX8:
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

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM/AGONIST / Agonist / STING / IMMUNE SYSTEM / IMMUNE SYSTEM-AGONIST complex

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