6DXL

Linked amidobenzimidazole STING agonist

Summary for 6DXL

• Entry DOI: 10.2210/pdb6dxl/pdb
• Descriptor: Stimulator of interferon protein, 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, ... (4 entities in total)
• Functional Keywords: agonist, dna-sensor, cgas, tbk1, immune system, immune system-agonist complex, immune system/agonist
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 44594.18

Authors

Concha, N.O. (deposition date: 2018-06-29, release date: 2018-11-07, Last modification date: 2024-03-13)

• Primary citation: Ramanjulu, J.M.,Pesiridis, G.S.,Yang, J.,Concha, N.,Singhaus, R.,Zhang, S.Y.,Tran, J.L.,Moore, P.,Lehmann, S.,Eberl, H.C.,Muelbaier, M.,Schneck, J.L.,Clemens, J.,Adam, M.,Mehlmann, J.,Romano, J.,Morales, A.,Kang, J.,Leister, L.,Graybill, T.L.,Charnley, A.K.,Ye, G.,Nevins, N.,Behnia, K.,Wolf, A.I.,Kasparcova, V.,Nurse, K.,Wang, L.,Li, Y.,Klein, M.,Hopson, C.B.,Guss, J.,Bantscheff, M.,Bergamini, G.,Reilly, M.A.,Lian, Y.,Duffy, K.J.,Adams, J.,Foley, K.P.,Gough, P.J.,Marquis, R.W.,Smothers, J.,Hoos, A.,Bertin, J.; Design of amidobenzimidazole STING receptor agonists with systemic activity.; Nature, 564:439-443, 2018; PubMed: 30405246; DOI: 10.1038/s41586-018-0705-y

Experimental method

X-RAY DIFFRACTION (2.45 Å)