6HMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hmv by Molmil](/molmil-images/mine/6hmv) | |
8A5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a5x by Molmil](/molmil-images/mine/8a5x) | |
8CEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cev by Molmil](/molmil-images/mine/8cev) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO1119 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
|
|
8CER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cer by Molmil](/molmil-images/mine/8cer) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO494 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
|
|
8CEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ceq by Molmil](/molmil-images/mine/8ceq) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO427 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
|
|
8CES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ces by Molmil](/molmil-images/mine/8ces) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO500 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
|
|
8CET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cet by Molmil](/molmil-images/mine/8cet) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO507 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
|
|
9FEH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9feh by Molmil](/molmil-images/mine/9feh) | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the STM957 inhibitor | Descriptor: | Transcription factor ETV6,Guanine-N7 methyltransferase nsp14, ZINC ION, ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-pyridin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-cyano-~{N}-ethyl-4-methoxy-benzenesulfonamide | Authors: | Zilecka, E, Klima, M, Boura, E. | Deposit date: | 2024-05-20 | Release date: | 2024-08-28 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of SARS-CoV-2 MTase nsp14 with the inhibitor STM957 reveals inhibition mechanism that is shared with a poxviral MTase VP39. J Struct Biol X, 10, 2024
|
|
7R50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r50 by Molmil](/molmil-images/mine/7r50) | |
7OY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oy9 by Molmil](/molmil-images/mine/7oy9) | |
7Q3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q3b by Molmil](/molmil-images/mine/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
|
|
8QDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qdj by Molmil](/molmil-images/mine/8qdj) | |
6YHU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yhu by Molmil](/molmil-images/mine/6yhu) | |
7Q85
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q85 by Molmil](/molmil-images/mine/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
|
|
6Q69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q69 by Molmil](/molmil-images/mine/6q69) | |
6Q68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q68 by Molmil](/molmil-images/mine/6q68) | |
6Q67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q67 by Molmil](/molmil-images/mine/6q67) | |
8BWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bwu by Molmil](/molmil-images/mine/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: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes Digit Discov, 2024
|
|
8OIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oiv by Molmil](/molmil-images/mine/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
|
|
8P7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p7a by Molmil](/molmil-images/mine/8p7a) | |
8PEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pem by Molmil](/molmil-images/mine/8pem) | |
8A23
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a23 by Molmil](/molmil-images/mine/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
|
|
8CGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cgb by Molmil](/molmil-images/mine/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: | 2024-06-19 | 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
|
|
7ZIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ziu by Molmil](/molmil-images/mine/7ziu) | |
8B07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b07 by Molmil](/molmil-images/mine/8b07) | |