5I14
 
 | | Truncated and mutated T4 lysozyme | | 分子名称: | NICKEL (II) ION, mutated and truncated T4 lysozyme | | 著者 | Klima, M, Boura, E. | | 登録日 | 2016-02-05 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.745 Å) | | 主引用文献 | Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography.
Protein Sci., 26, 2017
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4WTV
 | | Crystal structure of the phosphatidylinositol 4-kinase IIbeta | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-beta,Endolysin,Phosphatidylinositol 4-kinase type 2-beta | | 著者 | Klima, M, Baumlova, A, Chalupska, D, Boura, E. | | 登録日 | 2014-10-30 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design.
Acta Crystallogr.,Sect.D, 71, 2015
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4YC4
 | | Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with nucleotide analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha,Lysozyme,Phosphatidylinositol 4-kinase type 2-alpha, [(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol | | 著者 | Klima, M, Boura, E. | | 登録日 | 2015-02-19 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design.
Acta Crystallogr.,Sect.D, 71, 2015
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7R1U
 | | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor | | 分子名称: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | | 登録日 | 2022-02-03 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16.
Protein Sci., 31, 2022
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7R1T
 | | Crystal structure of SARS-CoV-2 nsp10/nsp16 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, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | | 登録日 | 2022-02-03 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16.
Protein Sci., 31, 2022
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8ORW
 | | Crystal structure of human STING in complex with the agonist MD1203 | | 分子名称: | 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, Stimulator of interferon protein | | 著者 | Klima, M, Boura, E. | | 登録日 | 2023-04-17 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | 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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8P45
 | | Crystal structure of human STING in complex with the agonist MD1202D | | 分子名称: | 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, Stimulator of interferon genes protein | | 著者 | Klima, M, Boura, E. | | 登録日 | 2023-05-19 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | 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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5LZ3
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5LVZ
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5LZ6
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5LZ1
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6HLW
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6HM8
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6HLN
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6HLV
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6HLT
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6HMV
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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 | 2023-05-03 | | 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 | 2023-05-03 | | 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 | 2023-05-03 | | 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 | 2023-05-03 | | 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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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 | 2023-05-03 | | 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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8A5X
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7ZKU
 | | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'dGMP) | | 分子名称: | 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R})-8-(6-aminopurin-9-yl)-9-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]-2-azanyl-3~{H}-purin-6-one, Stimulator of interferon protein | | 著者 | Klima, M, Smola, M, Boura, E. | | 登録日 | 2022-04-13 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'dGMP)
To Be Published
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7ZV0
 | | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'F,2'dAMP) | | 分子名称: | 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 | | 著者 | Klima, M, Smola, M, Boura, E. | | 登録日 | 2022-05-13 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | 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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