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PDB: 100 results

5FBR
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BU of 5fbr by Molmil
PI4KB in complex with Rab11 and the MI359 Inhibitor
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:PI4KB in complex with Rab11 and the MI359 Inhibitor
To Be Published
6HLW
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BU of 6hlw by Molmil
Crystal structure of human ACBD3 GOLD domain in complex with 3A protein of enterovirus-A71 (fusion protein)
Descriptor: Genome polyprotein, Golgi resident protein GCP60
Authors:Klima, M, Boura, E.
Deposit date:2018-09-11
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.728 Å)
Cite:Convergent evolution in the mechanisms of ACBD3 recruitment to picornavirus replication sites.
Plos Pathog., 15, 2019
6HLV
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BU of 6hlv by Molmil
Crystal structure of human ACBD3 GOLD domain in complex with 3A protein of poliovirus-1 (L24A mutant)
Descriptor: 3A protein, Golgi resident protein GCP60
Authors:Klima, M, Boura, E.
Deposit date:2018-09-11
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Convergent evolution in the mechanisms of ACBD3 recruitment to picornavirus replication sites.
Plos Pathog., 15, 2019
6HLT
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BU of 6hlt by Molmil
Crystal structure of human ACBD3 GOLD domain in complex with 3A protein of rhinovirus-14 (HRV14)
Descriptor: Genome polyprotein, Golgi resident protein GCP60
Authors:Klima, M, Boura, E.
Deposit date:2018-09-11
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.815 Å)
Cite:Convergent evolution in the mechanisms of ACBD3 recruitment to picornavirus replication sites.
Plos Pathog., 15, 2019
6HMV
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BU of 6hmv by Molmil
Crystal structure of human ACBD3 GOLD domain in complex with 3A protein of enterovirus-D68 (fusion protein, LVVY mutant)
Descriptor: Genome polyprotein, Golgi resident protein GCP60
Authors:Klima, M, Boura, E.
Deposit date:2018-09-13
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Convergent evolution in the mechanisms of ACBD3 recruitment to picornavirus replication sites.
Plos Pathog., 15, 2019
5FBL
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BU of 5fbl by Molmil
PI4KB in complex with Rab11 and the MI356 Inhibitor
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.372 Å)
Cite:PI4KB in complex with Rab11 and the MI356 Inhibitor
To Be Published
5FBV
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BU of 5fbv by Molmil
PI4KB in complex with Rab11 and the MI364 Inhibitor
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.285 Å)
Cite:PI4KB in complex with Rab11 and the MI364 Inhibitor
To Be Published
6HLN
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BU of 6hln by Molmil
Crystal structure of human ACBD3 GOLD domain in complex with 3A protein of enterovirus-D68
Descriptor: Genome polyprotein, Golgi resident protein GCP60
Authors:Klima, M, Boura, E.
Deposit date:2018-09-11
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Convergent evolution in the mechanisms of ACBD3 recruitment to picornavirus replication sites.
Plos Pathog., 15, 2019
5I14
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BU of 5i14 by Molmil
Truncated and mutated T4 lysozyme
Descriptor: NICKEL (II) ION, mutated and truncated T4 lysozyme
Authors:Klima, M, Boura, E.
Deposit date:2016-02-05
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography.
Protein Sci., 26, 2017
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
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
8A23
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BU of 8a23 by Molmil
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
7ZKU
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BU of 7zku by Molmil
Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'dGMP)
Descriptor: 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
Authors:Klima, M, Smola, M, Boura, E.
Deposit date:2022-04-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'dGMP)
To Be Published
7ZWL
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BU of 7zwl by Molmil
Crystal structure of human STING in complex with 3',3'-c-di-(2'F,2'dAMP)
Descriptor: 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine, Stimulator of interferon protein, Ubiquitin-like protein SMT3
Authors:Klima, M, Smola, M, Boura, E.
Deposit date:2022-05-19
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human STING in complex with 3',3'-c-di-(2'F,2'dAMP)
To Be Published
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
7ZVK
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BU of 7zvk by Molmil
Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-IMP)
Descriptor: 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(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]-3~{H}-purin-6-one, Stimulator of interferon protein
Authors:Klima, M, Smola, M, Boura, E.
Deposit date:2022-05-16
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-IMP)
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
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
8A5X
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BU of 8a5x by Molmil
Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373
Descriptor: 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide, Phosphatidylinositol 4-kinase type 2-beta,Endolysin
Authors:Klima, M, Boura, E.
Deposit date:2022-06-16
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and modular synthesis of novel PI4K class II inhibitors bearing a 4-aminoquinazoline scaffold.
Bioorg.Med.Chem.Lett., 76, 2022
7ZIT
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BU of 7zit by Molmil
14-3-3 in complex with SARS-COV2 N phospho-peptide
Descriptor: 14-3-3 protein zeta/delta, ACETATE ION, BENZOIC ACID, ...
Authors:Eisenreichova, A, Boura, E.
Deposit date:2022-04-08
Release date:2022-10-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural basis for SARS-CoV-2 nucleocapsid (N) protein recognition by 14-3-3 proteins.
J.Struct.Biol., 214, 2022
8A2H
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BU of 8a2h by Molmil
human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP
Descriptor: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-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
Authors:Smola, M, Vavrina, Z, Boura, E, Brynda, J.
Deposit date:2022-06-03
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
6TC6
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BU of 6tc6 by Molmil
Crystal structure of MutM from Neisseria meningitidis
Descriptor: Formamidopyrimidine-DNA glycosylase, ZINC ION
Authors:Silhan, J, Landova, B, Boura, E.
Deposit date:2019-11-05
Release date:2020-10-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conformational changes of DNA repair glycosylase MutM triggered by DNA binding.
Febs Lett., 594, 2020
6TC9
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BU of 6tc9 by Molmil
Crystal structure of MutM from Neisseria meningitidis
Descriptor: DNA, DNA containing abasic site analogue, Formamidopyrimidine-DNA glycosylase, ...
Authors:Silhan, J, Landova, B, Boura, E.
Deposit date:2019-11-05
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Conformational changes of DNA repair glycosylase MutM triggered by DNA binding.
Febs Lett., 594, 2020
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