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7K98
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BU of 7k98 by Molmil
Preaminoacylation complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine (F-AMS)
Descriptor: 5'-O-(L-phenylalanylsulfamoyl)adenosine, CHLORIDE ION, GLYCEROL, ...
Authors:Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-28
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
7K9M
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BU of 7k9m by Molmil
Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine
Descriptor: 5'-O-(L-phenylalanylsulfamoyl)adenosine, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-29
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
6W75
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BU of 6w75 by Molmil
1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2
Descriptor: 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-18
Release date:2020-03-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
6W81
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BU of 6w81 by Molmil
Structure of PEDV main protease bound to potent broad-spectrum non-covalent inhibitor X77
Descriptor: MALONIC ACID, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, Peptidase C30
Authors:Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-20
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6WGQ
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BU of 6wgq by Molmil
The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-06
Release date:2020-04-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
To Be Published
6WKQ
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BU of 6wkq by Molmil
1.98 Angstrom Resolution Crystal Structure of NSP16-NSP10 Heterodimer from SARS-CoV-2 in Complex with Sinefungin
Descriptor: 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-16
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
7STS
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BU of 7sts by Molmil
Crystal Structure of Human Fab S24-1379 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2
Descriptor: Fab S24-1379, heavy chain, light chain, ...
Authors:Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-11-15
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
7SUE
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BU of 7sue by Molmil
Crystal Structure of Human Fab S24-188 in the complex with the N-teminal Domain of Nucleocapsid protein from SARS CoV-2
Descriptor: Nucleoprotein, S24-188 Fab Heavy chain, S24-188 Fab Light chain
Authors:Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-11-17
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
7STR
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BU of 7str by Molmil
Crystal Structure of Human Fab S24-1063 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2
Descriptor: 1,2-ETHANEDIOL, Fab S24-1063, Heavy chain, ...
Authors:Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-11-15
Release date:2022-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
6WHL
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BU of 6whl by Molmil
The crystal structure of a beta-lactamase from Legionella pneumophila str. Paris
Descriptor: Beta-lactamase, GLYCEROL
Authors:Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-08
Release date:2020-04-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of a beta-lactamase from Legionella pneumophila str. Paris
To Be Published
6WGR
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BU of 6wgr by Molmil
The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, GLYCEROL
Authors:Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-06
Release date:2020-04-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516
To Be Published
7T9P
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BU of 7t9p by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain native virion
Descriptor: viral protein 1, viral protein 2, viral protein 3, ...
Authors:Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-12-19
Release date:2023-01-25
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
7TAH
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BU of 7tah by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain in complex with inhibitor 11526091 (no/low occupancy-no inhibitor modeled)
Descriptor: viral protein 1, viral protein 2, viral protein 3, ...
Authors:Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-12-20
Release date:2023-01-25
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
7TAJ
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BU of 7taj by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain in complex with inhibitor 11526093 (no/low occupancy-no inhibitor modeled)
Descriptor: viral protein 1, viral protein 2, viral protein 3, ...
Authors:Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-12-20
Release date:2023-01-25
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
7TAF
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BU of 7taf by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with inhibitor 11526092
Descriptor: N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide, viral protein 1, viral protein 2, ...
Authors:Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-12-20
Release date:2023-01-25
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
7TAG
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BU of 7tag by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with pleconaril
Descriptor: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, viral protein 1, viral protein 2, ...
Authors:Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-12-20
Release date:2023-01-25
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
6WUW
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BU of 6wuw by Molmil
Crystal structure of Human Serum Albumin complex with JMS-053
Descriptor: 1,2-ETHANEDIOL, 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione, MYRISTIC ACID, ...
Authors:Czub, M.P, Cooper, D.R, Shabalin, I.G, Lazo, J.S, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-05
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin.
Mol.Pharmacol., 98, 2020
7TVS
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BU of 7tvs by Molmil
The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide
Authors:Tan, K, Maltseva, N.I, Endres, M.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-02-05
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88612878 Å)
Cite:The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib
To Be Published
5IZN
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BU of 5izn by Molmil
The crystal structure of 50S ribosomal protein L25 from Vibrio vulnificus CMCP6
Descriptor: 50S ribosomal protein L25, PHOSPHATE ION
Authors:Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-03-25
Release date:2016-04-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of 50S ribosomal protein L25 from Vibrio vulnificus CMCP6
To Be Published
6O6Q
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BU of 6o6q by Molmil
Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Casein kinase 2 catalytic subunit, ...
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-03-07
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans
To Be Published
6XG1
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BU of 6xg1 by Molmil
Class C beta-lactamase from Escherichia coli
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase
Authors:Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-16
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Class C beta-lactamase from Escherichia coli
To Be Published
6XKF
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BU of 6xkf by Molmil
The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine).
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION
Authors:Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Coates, L, Kovalevskyi, A.Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-26
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine).
To Be Published
6XFS
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BU of 6xfs by Molmil
Class C beta-lactamase from Escherichia coli in complex with Tazobactam
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ...
Authors:Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-16
Release date:2020-07-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Class C beta-lactamase from Escherichia coli in complex with Tazobactam
To Be Published
6XKH
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BU of 6xkh by Molmil
THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, ACETATE ION, ...
Authors:Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Coates, L, Kovalevsky, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-26
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
To Be Published
7RJ3
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BU of 7rj3 by Molmil
Crystal Structure of the Forkhead Associated (FHA) Domain of the Glycogen Accumulation Regulator (GarA) from Mycobacterium tuberculosis
Descriptor: DI(HYDROXYETHYL)ETHER, Glycogen accumulation regulator GarA
Authors:Minasov, G, Shuvalova, L, Pshenychnyi, S, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-20
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of the Forkhead Associated (FHA) Domain of the Glycogen Accumulation Regulator (GarA) from Mycobacterium tuberculosis.
To Be Published

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數據於2024-10-16公開中

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