7ZV0
 
 | | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'F,2'dAMP) | | Descriptor: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine, Stimulator of interferon protein | | Authors: | Klima, M, Smola, M, Boura, E. | | Deposit date: | 2022-05-13 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'F,2'dAMP)
To Be Published
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7ZVK
 | | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-IMP) | | Descriptor: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon protein | | Authors: | Klima, M, Smola, M, Boura, E. | | Deposit date: | 2022-05-16 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-IMP)
To Be Published
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7ZWL
 | | Crystal structure of human STING in complex with 3',3'-c-di-(2'F,2'dAMP) | | Descriptor: | 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine, Stimulator of interferon protein, Ubiquitin-like protein SMT3 | | Authors: | Klima, M, Smola, M, Boura, E. | | Deposit date: | 2022-05-19 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human STING in complex with 3',3'-c-di-(2'F,2'dAMP)
To Be Published
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7ZXB
 | | Crystal structure of human STING in complex with 3',3'-c-(2'dAMP-2'F,2'dAMP) | | Descriptor: | 9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine, Stimulator of interferon protein | | Authors: | Klima, M, Smola, M, Boura, E. | | Deposit date: | 2022-05-20 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human STING in complex with 3',3'-c-(2'dAMP-2'F,2'dAMP)
To Be Published
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8A2X
 | | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP(S)-2'F,2'dAMP(S)) | | Descriptor: | 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine, Stimulator of interferon protein | | Authors: | Klima, M, Smola, M, Boura, E. | | Deposit date: | 2022-06-06 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP(S)-2'F,2'dAMP(S))
To Be Published
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7OY9
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8BWU
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | Deposit date: | 2022-12-07 | | Release date: | 2023-10-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors.
Biorxiv, 2024
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6YHU
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7Q3B
 | | Crystal structure of human STING in complex with 3'3'-c-(2'F,2'dA-isonucA)MP | | Descriptor: | 3'3'-c-(2'F,2'dA-isonucA)MP, Stimulator of interferon genes protein | | Authors: | Smola, M, Klima, M, Boura, E. | | Deposit date: | 2021-10-27 | | Release date: | 2022-06-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.55733919 Å) | | Cite: | Discovery of isonucleotidic CDNs as potent STING agonists with immunomodulatory potential.
Structure, 30, 2022
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6Q69
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6Q67
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6Q68
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7Q85
 | | Crystal structure of human STING in complex with MD1193 | | Descriptor: | 9-[(1R,6R,8R,13E,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine, Stimulator of interferon genes protein | | Authors: | Smola, M, Klima, M, Boura, E. | | Deposit date: | 2021-11-10 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.359 Å) | | Cite: | Vinylphosphonate-based cyclic dinucleotides enhance STING-mediated cancer immunotherapy.
Eur.J.Med.Chem., 259, 2023
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7R50
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8CGB
 | | Monkeypox virus VP39 in complex with SAH | | Descriptor: | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Silhan, J, Klima, M, Skvara, P, Boura, E. | | Deposit date: | 2023-02-03 | | Release date: | 2023-04-26 | | Last modified: | 2023-05-03 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
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8ORV
 | | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1203 | | Descriptor: | 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165 | | Authors: | Duchoslav, V, Klima, M, Boura, E. | | Deposit date: | 2023-04-17 | | Release date: | 2023-12-20 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
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8P44
 | | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D | | Descriptor: | 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165 | | Authors: | Duchoslav, V, Klima, M, Boura, E. | | Deposit date: | 2023-05-19 | | Release date: | 2023-12-20 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
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8A23
 | | Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in complex with TO383 | | Descriptor: | (2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 2'-O-methyltransferase nsp16, GLYCEROL, ... | | Authors: | Hanigovsky, M, Krafcikova, P, Klima, M, Boura, E. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in
complex with TO383
To Be Published
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8OIV
 | | Monkeypox virus VP39 in complex with SAH and cap0 | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Skvara, P, Chalupska, D, Silhan, J, Klima, M, Boura, E. | | Deposit date: | 2023-03-23 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis for RNA-cap recognition and methylation by the mpox methyltransferase VP39.
Antiviral Res., 216, 2023
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8P7A
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7ZIU
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8B07
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