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8CET
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BU of 8cet by Molmil
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
8CES
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BU of 8ces by Molmil
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
8CEV
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BU of 8cev by Molmil
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
8CGB
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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2023-05-03
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
8ORV
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BU of 8orv by Molmil
Crystal structure of monkeypox virus poxin in complex with the STING 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, MPXVgp165
著者Duchoslav, V, 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 (1.65 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
8ORW
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BU of 8orw by Molmil
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
8P45
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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
8P44
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Crystal structure of monkeypox virus poxin in complex with the STING 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, MPXVgp165
著者Duchoslav, V, 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 (1.93 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
6Z15
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Human wtSTING in complex with 3',3'-c-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-05-12
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6Z0Z
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BU of 6z0z by Molmil
Human wtSTING in complex with 3',3'-c-(2'FdAMP-2'FdAMP)
分子名称: 2'-fluoro-,3',3'-c-di-AMP, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-05-11
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
7ACS
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BU of 7acs by Molmil
The SARS-CoV-2 nucleocapsid phosphoprotein N-terminal domain in complex with 7mer dsRNA
分子名称: Nucleoprotein, RNA (5'-R(P*CP*AP*CP*UP*GP*AP*C)-3'), RNA (5'-R(P*GP*UP*CP*AP*GP*UP*G)-3')
著者Veverka, V.
登録日2020-09-11
公開日2020-11-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural basis of RNA recognition by the SARS-CoV-2 nucleocapsid phosphoprotein.
Plos Pathog., 16, 2020
7ACT
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BU of 7act by Molmil
The SARS-CoV-2 nucleocapsid phosphoprotein N-terminal domain in complex with 10mer ssRNA
分子名称: Nucleoprotein, ssRNA
著者Veverka, V.
登録日2020-09-11
公開日2020-10-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural basis of RNA recognition by the SARS-CoV-2 nucleocapsid phosphoprotein.
Plos Pathog., 16, 2020
6YI3
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BU of 6yi3 by Molmil
The N-terminal RNA-binding domain of the SARS-CoV-2 nucleocapsid phosphoprotein
分子名称: Nucleoprotein
著者Veverka, V, Boura, E.
登録日2020-03-31
公開日2020-04-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural basis of RNA recognition by the SARS-CoV-2 nucleocapsid phosphoprotein.
Plos Pathog., 16, 2020
6YHU
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BU of 6yhu by Molmil
Crystal structure of the nsp7-nsp8 complex of SARS-CoV-2
分子名称: Replicase polyprotein 1a
著者Konkolova, E, Klima, M, Boura, E.
登録日2020-03-31
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of the putative SARS-CoV-2 primase complex.
J.Struct.Biol., 211, 2020
6Y99
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hSTING mutant R232K in complex with 2',3'-cGAMP
分子名称: Stimulator of interferon genes protein, cGAMP
著者Boura, E, Smola, M.
登録日2020-03-06
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.984 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YDB
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BU of 6ydb by Molmil
Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-03-20
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YDZ
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Human wtSTING in complex with 3',3'-cGAMP
分子名称: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-03-23
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YEA
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Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP
分子名称: 2',2'-difluoro-3',3'-cGAMP, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-03-24
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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