7KVX

Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1

Summary for 7KVX

• Entry DOI: 10.2210/pdb7kvx/pdb
• Descriptor: Stimulator of interferon genes protein, (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione (3 entities in total)
• Functional Keywords: immunotherapy, stimulator of interferon genes, cyclic dinucleotide, immune system
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 27860.16

Authors

Skene, R. (deposition date: 2020-11-29, release date: 2021-06-02, Last modification date: 2023-10-18)

• Primary citation: Vyskocil, S.,Cardin, D.,Ciavarri, J.,Conlon, J.,Cullis, C.,England, D.,Gershman, R.,Gigstad, K.,Gipson, K.,Gould, A.,Greenspan, P.,Griffin, R.,Gulavita, N.,Harrison, S.,Hu, Z.,Hu, Y.,Hata, A.,Huang, J.,Huang, S.C.,Janowick, D.,Jones, M.,Kolev, V.,Langston, S.P.,Lee, H.M.,Li, G.,Lok, D.,Ma, L.,Mai, D.,Malley, J.,Matsuda, A.,Mizutani, H.,Mizutani, M.,Molchanova, N.,Nunes, E.,Pusalkar, S.,Renou, C.,Rowland, S.,Sato, Y.,Shaw, M.,Shen, L.,Shi, Z.,Skene, R.,Soucy, F.,Stroud, S.,Xu, H.,Xu, T.,Abu-Yousif, A.O.,Zhang, J.; Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.; J.Med.Chem., 64:6902-6923, 2021; PubMed: 34000802; DOI: 10.1021/acs.jmedchem.1c00374

Experimental method

X-RAY DIFFRACTION (2.48 Å)