5FBW
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![BU of 5fbw by Molmil](/molmil-images/mine/5fbw) | PI4KB in complex with Rab11 and the MI369 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 (3.487 Å) | Cite: | PI4KB in complex with Rab11 and the MI369 Inhibitor To Be Published
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5FBR
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![BU of 5fbr by Molmil](/molmil-images/mine/5fbr) | 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
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5FBQ
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![BU of 5fbq by Molmil](/molmil-images/mine/5fbq) | PI4KB in complex with Rab11 and the MI358 Inhibitor | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, 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 (3.789 Å) | Cite: | PI4KB in complex with Rab11 and the MI358 Inhibitor To Be Published
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5FBL
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![BU of 5fbl by Molmil](/molmil-images/mine/5fbl) | 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
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5FBV
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![BU of 5fbv by Molmil](/molmil-images/mine/5fbv) | 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
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4WAE
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![BU of 4wae by Molmil](/molmil-images/mine/4wae) | Phosphatidylinositol 4-kinase III beta crystallized with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | Authors: | Chalupska, D, Boura, E. | Deposit date: | 2014-08-29 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.318 Å) | Cite: | Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action. J.Med.Chem., 58, 2015
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4WAG
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![BU of 4wag by Molmil](/molmil-images/mine/4wag) | Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor | Descriptor: | 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | Authors: | Chalupska, D, Boura, E. | Deposit date: | 2014-08-29 | Release date: | 2015-05-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.407 Å) | Cite: | Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action. J.Med.Chem., 58, 2015
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8OIV
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![BU of 8oiv by Molmil](/molmil-images/mine/8oiv) | Monkeypox virus VP39 in complex with SAH and cap0 | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Skvara, P, Chalupska, D, Silhan, J, Klima, M, Boura, E. | Deposit date: | 2023-03-23 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis for RNA-cap recognition and methylation by the mpox methyltransferase VP39. Antiviral Res., 216, 2023
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4PLA
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![BU of 4pla by Molmil](/molmil-images/mine/4pla) | |
4WTV
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![BU of 4wtv by Molmil](/molmil-images/mine/4wtv) | Crystal structure of the phosphatidylinositol 4-kinase IIbeta | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-beta,Endolysin,Phosphatidylinositol 4-kinase type 2-beta | Authors: | Klima, M, Baumlova, A, Chalupska, D, Boura, E. | Deposit date: | 2014-10-30 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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![BU of 4yc4 by Molmil](/molmil-images/mine/4yc4) | Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with nucleotide analog | Descriptor: | 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 | Authors: | Klima, M, Boura, E. | Deposit date: | 2015-02-19 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | 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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3N7Z
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![BU of 3n7z by Molmil](/molmil-images/mine/3n7z) | Crystal structure of acetyltransferase from Bacillus anthracis | Descriptor: | Acetyltransferase, GNAT family, SODIUM ION | Authors: | Chang, C, Wu, R, Gornicki, P, Zhang, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-05-27 | Release date: | 2010-06-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Biochemical and Structural Analysis of an Eis Family Aminoglycoside Acetyltransferase from Bacillus anthracis. Biochemistry, 54, 2015
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8CEV
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![BU of 8cev by Molmil](/molmil-images/mine/8cev) | 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
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8CER
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![BU of 8cer by Molmil](/molmil-images/mine/8cer) | 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
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8CEQ
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![BU of 8ceq by Molmil](/molmil-images/mine/8ceq) | 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
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8CES
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![BU of 8ces by Molmil](/molmil-images/mine/8ces) | 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
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8CET
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![BU of 8cet by Molmil](/molmil-images/mine/8cet) | 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
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8CGB
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![BU of 8cgb by Molmil](/molmil-images/mine/8cgb) | 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
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8P45
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![BU of 8p45 by Molmil](/molmil-images/mine/8p45) | Crystal structure of human STING in complex with the agonist MD1202D | Descriptor: | 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 | Authors: | Klima, M, Boura, E. | Deposit date: | 2023-05-19 | Release date: | 2023-12-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | 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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8ORV
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![BU of 8orv by Molmil](/molmil-images/mine/8orv) | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1203 | Descriptor: | 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 | Authors: | Duchoslav, V, Klima, M, Boura, E. | Deposit date: | 2023-04-17 | Release date: | 2023-12-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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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8P44
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![BU of 8p44 by Molmil](/molmil-images/mine/8p44) | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D | Descriptor: | 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 | Authors: | Duchoslav, V, Klima, M, Boura, E. | Deposit date: | 2023-05-19 | Release date: | 2023-12-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 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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8ORW
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![BU of 8orw by Molmil](/molmil-images/mine/8orw) | Crystal structure of human STING in complex with the agonist MD1203 | Descriptor: | 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 | Authors: | Klima, M, Boura, E. | Deposit date: | 2023-04-17 | Release date: | 2023-12-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | 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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2N72
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![BU of 2n72 by Molmil](/molmil-images/mine/2n72) | Solution structure of the Q domain from ACBD3 | Descriptor: | Golgi resident protein GCP60 | 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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2N73
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![BU of 2n73 by Molmil](/molmil-images/mine/2n73) | 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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5LZ3
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![BU of 5lz3 by Molmil](/molmil-images/mine/5lz3) | |