6HLW
 
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8A5X
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8CEV
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO1119 | | 分子名称: | (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 | | 著者 | Klima, M, Silhan, J, Boura, E. | | 登録日 | 2023-02-02 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | 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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8CER
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO494 | | 分子名称: | (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 | | 著者 | Klima, M, Silhan, J, Boura, E. | | 登録日 | 2023-02-02 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 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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8CEQ
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO427 | | 分子名称: | (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 | | 著者 | Klima, M, Silhan, J, Boura, E. | | 登録日 | 2023-02-02 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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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8CES
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO500 | | 分子名称: | (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 | | 著者 | Klima, M, Silhan, J, Boura, E. | | 登録日 | 2023-02-02 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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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8CET
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO507 | | 分子名称: | (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 | | 著者 | Klima, M, Silhan, J, Boura, E. | | 登録日 | 2023-02-02 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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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7R50
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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 | | 分子名称: | 3'3'-c-(2'F,2'dA-isonucA)MP, Stimulator of interferon genes protein | | 著者 | Smola, M, Klima, M, Boura, E. | | 登録日 | 2021-10-27 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.55733919 Å) | | 主引用文献 | Discovery of isonucleotidic CDNs as potent STING agonists with immunomodulatory potential.
Structure, 30, 2022
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7Q85
 | | Crystal structure of human STING in complex with MD1193 | | 分子名称: | 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 | | 著者 | Smola, M, Klima, M, Boura, E. | | 登録日 | 2021-11-10 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.359 Å) | | 主引用文献 | Vinylphosphonate-based cyclic dinucleotides enhance STING-mediated cancer immunotherapy.
Eur.J.Med.Chem., 259, 2023
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8BWU
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | 分子名称: | (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 | | 著者 | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | 登録日 | 2022-12-07 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
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7OY9
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6Q69
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6Q68
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6Q67
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8CGB
 | | Monkeypox virus VP39 in complex with SAH | | 分子名称: | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Silhan, J, Klima, M, Skvara, P, Boura, E. | | 登録日 | 2023-02-03 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | 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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8A23
 | | Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in complex with TO383 | | 分子名称: | (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, ... | | 著者 | Hanigovsky, M, Krafcikova, P, Klima, M, Boura, E. | | 登録日 | 2022-06-02 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 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 | | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Skvara, P, Chalupska, D, Silhan, J, Klima, M, Boura, E. | | 登録日 | 2023-03-23 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structural basis for RNA-cap recognition and methylation by the mpox methyltransferase VP39.
Antiviral Res., 216, 2023
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8PEM
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8P7A
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7ZIU
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8B07
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1JEZ
 | | THE STRUCTURE OF XYLOSE REDUCTASE, A DIMERIC ALDO-KETO REDUCTASE FROM CANDIDA TENUIS | | 分子名称: | XYLOSE REDUCTASE | | 著者 | Kavanagh, K.L, Klimacek, M, Nidetzky, B, Wilson, D.K. | | 登録日 | 2001-06-19 | | 公開日 | 2002-07-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The structure of apo and holo forms of xylose reductase, a dimeric aldo-keto reductase from Candida tenuis.
Biochemistry, 41, 2002
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1K8C
 | | Crystal structure of dimeric xylose reductase in complex with NADP(H) | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, xylose reductase | | 著者 | Kavanagh, K.L, Klimacek, M, Nidetzky, B, Wilson, D.K. | | 登録日 | 2001-10-23 | | 公開日 | 2002-07-05 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structure of apo and holo forms of xylose reductase, a dimeric aldo-keto reductase from Candida tenuis.
Biochemistry, 41, 2002
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