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7ZV0
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BU of 7zv0 by Molmil
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
7ZXB
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BU of 7zxb by Molmil
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
8A2X
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BU of 8a2x by Molmil
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
6Q69
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BU of 6q69 by Molmil
Crystal structure of porcine ACBD3 GOLD domain in complex with 3A protein of enterovirus-G1
Descriptor: Genome polyprotein, Peripherial benzodiazepine receptor associated protein
Authors:Smola, M, Boura, E, Klima, M.
Deposit date:2018-12-10
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.747 Å)
Cite:Structural basis for hijacking of the host ACBD3 protein by bovine and porcine enteroviruses and kobuviruses.
Arch. Virol., 165, 2020
6Q67
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BU of 6q67 by Molmil
Crystal structure of porcine ACBD3 GOLD domain in complex with 3A protein of Aichivirus C
Descriptor: 3A, Peripherial benzodiazepine receptor associated protein, beta-D-glucopyranose
Authors:Smola, M, Boura, E, Klima, M.
Deposit date:2018-12-10
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Structural basis for hijacking of the host ACBD3 protein by bovine and porcine enteroviruses and kobuviruses.
Arch. Virol., 165, 2020
8B07
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BU of 8b07 by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with sinefungin
Descriptor: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, SINEFUNGIN
Authors:Silhan, J, Klima, M, Boura, E.
Deposit date:2022-09-07
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
6S86
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BU of 6s86 by Molmil
Human wtSTING in complex with 3'3'-c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon genes
Authors:Smola, M, Boura, E.
Deposit date:2019-07-08
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:No magnesium is needed for binding of the stimulator of interferon genes to cyclic dinucleotides.
Acta Crystallogr.,Sect.F, 75, 2019
6Q68
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BU of 6q68 by Molmil
Crystal structure of bovine ACBD3 GOLD domain in complex with 3A protein of enterovirus-F2 (fusion protein)
Descriptor: Acyl-CoA binding domain containing 3, Genome polyprotein, beta-D-glucopyranose
Authors:Smola, M, Boura, E, Klima, M.
Deposit date:2018-12-10
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.161 Å)
Cite:Structural basis for hijacking of the host ACBD3 protein by bovine and porcine enteroviruses and kobuviruses.
Arch. Virol., 165, 2020
8CEV
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BU of 8cev by Molmil
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
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BU of 8cer by Molmil
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
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BU of 8ceq by Molmil
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
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BU of 8ces by Molmil
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
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BU of 8cet by Molmil
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
8CGB
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BU of 8cgb by Molmil
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
8C9K
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BU of 8c9k by Molmil
Structure of Mpox virus poxin
Descriptor: MPXVgp165
Authors:Duchoslav, V, Boura, E.
Deposit date:2023-01-23
Release date:2023-05-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure of Mpox virus poxin
To Be Published
6QWT
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BU of 6qwt by Molmil
Sicinivirus 3Dpol RNA dependent RNA polymerase
Descriptor: Genome polyprotein
Authors:Dubankova, A, Boura, E.
Deposit date:2019-03-06
Release date:2019-10-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of kobuviral and siciniviral polymerases reveal conserved mechanism of picornaviral polymerase activation.
J.Struct.Biol., 208, 2019
6R1I
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BU of 6r1i by Molmil
Structure of porcine Aichi virus polymerase
Descriptor: Genome polyprotein
Authors:Dubankova, A, Boura, E.
Deposit date:2019-03-14
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.634 Å)
Cite:Structures of kobuviral and siciniviral polymerases reveal conserved mechanism of picornaviral polymerase activation.
J.Struct.Biol., 208, 2019
6S2A
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BU of 6s2a by Molmil
PI PLC mutant H82A
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase
Authors:Eisenreichova, A, Boura, E.
Deposit date:2019-06-20
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:PI PLC mutant H82A
To Be Published
6S27
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BU of 6s27 by Molmil
Crystal structure of human wild type STING in complex with 2'3'-cyclic-GMP-2'F-2'dAMP
Descriptor: 2'3'-cyclic-GMP-2'F-2'dAMP, Stimulator of interferon protein
Authors:Smola, M, Boura, E.
Deposit date:2019-06-20
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.
J.Med.Chem., 62, 2019
6YZ1
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BU of 6yz1 by Molmil
The crystal structure of SARS-CoV-2 nsp10-nsp16 methyltransferase complex with Sinefungin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SINEFUNGIN, ZINC ION, ...
Authors:Krafcikova, P, Silhan, J, Nencka, R, Boura, E.
Deposit date:2020-05-06
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of the SARS-CoV-2 methyltransferase complex involved in RNA cap creation bound to sinefungin.
Nat Commun, 11, 2020
8B9N
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BU of 8b9n by Molmil
Crystal structure of NEI domain of mouse NEIL3 trapped in covalent complex with ssDNA with abasic site
Descriptor: Endonuclease 8-like 3, ZINC ION, ssDNA with abasic site
Authors:Klima, M, Boura, E, Silhan, J.
Deposit date:2022-10-06
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of NEI domain of mouse NEIL3 trapped in covalent complex with ssDNA with abasic site
To Be Published
4EXV
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BU of 4exv by Molmil
Structure of Kluyveromyces lactis Hsv2p
Descriptor: SULFATE ION, SVP1-like protein 2
Authors:Baskaran, S, Hurley, J.H.
Deposit date:2012-05-01
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Two-Site Recognition of Phosphatidylinositol 3-Phosphate by PROPPINs in Autophagy.
Mol.Cell, 47, 2012
3HTU
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BU of 3htu by Molmil
Crystal structure of the human VPS25-VPS20 subcomplex
Descriptor: Vacuolar protein-sorting-associated protein 20, Vacuolar protein-sorting-associated protein 25
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2009-06-12
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of the ESCRT-II-III interface in multivesicular body biogenesis.
Dev.Cell, 17, 2009
7OMK
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BU of 7omk by Molmil
The NMR structure of the Zf-GRF domains from the mouse Endonuclease VIII-LIKE 3 (mNEIL3)
Descriptor: Endonuclease 8-like 3
Authors:Dinesh, D.C, Huskova, A, Srb, P, Veverka, V, Silhan, J.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Model of abasic site DNA cross-link repair; from the architecture of NEIL3 DNA binding domains to the X-structure model.
Nucleic Acids Res., 50, 2022
2N73
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BU of 2n73 by Molmil
Solution structure of the ACBD3:PI4KB complex
Descriptor: Golgi resident protein GCP60, Phosphatidylinositol 4-kinase beta
Authors:Veverka, V, Hexnerova, R.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein.
Sci Rep, 6, 2016

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