8A2K

human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-[(2-naphthyloxy)methyl]phenyl)-AMP

Summary for 8A2K

• Entry DOI: 10.2210/pdb8a2k/pdb
• Related: 8A2H 8A2I 8A2J
• Descriptor: Stimulator of interferon genes protein, 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one (3 entities in total)
• Functional Keywords: complex, sting, cyclic dinucleotide, immune system
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 55100.73

Authors

Vavrina, Z.,Brynda, J.,Rezacova, P. (deposition date: 2022-06-03, release date: 2022-10-12, Last modification date: 2024-01-31)

• Primary citation: Vavrina, Z.,Perlikova, P.,Milisavljevic, N.,Chevrier, F.,Smola, M.,Smith, J.,Dejmek, M.,Havlicek, V.,Budesinsky, M.,Liboska, R.,Vanekova, L.,Brynda, J.,Boura, E.,Rezacova, P.,Hocek, M.,Birkus, G.; Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.; J.Med.Chem., 65:14082-14103, 2022; PubMed: 36201304; DOI: 10.1021/acs.jmedchem.2c01305

Experimental method

X-RAY DIFFRACTION (1.89 Å)