1SI8
| Crystal structure of E. faecalis catalase | Descriptor: | CHLORIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hakansson, K.O, Brugna, M, Tasse, L. | Deposit date: | 2004-02-28 | Release date: | 2004-05-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The three-dimensional structure of catalase from Enterococcus faecalis. Acta Crystallogr.,Sect.D, 60, 2004
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7SEA
| Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SE7
| Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine | Descriptor: | S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SED
| Crystal structure of human Fibrillarin in complex with compound 2a | Descriptor: | FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SEC
| Crystal structure of human Fibrillarin in complex with compound 1a | Descriptor: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SE6
| Crystal structure of human Fibrillarin in ligand-free state | Descriptor: | FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SEB
| Crystal structure of human Fibrillarin in complex with compound 2 from single soak | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SE8
| Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SE9
| Crystal structure of human Fibrillarin in complex with compound 1 from single soak | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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8V6S
| Crystal structure of PcThsA in complex with Imidazole Adenine Dinucleotide | Descriptor: | Thoeris protein ThsA Macro domain-containing protein, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-imidazol-1-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | Deposit date: | 2023-12-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
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8V6Q
| Crystal structure of EcThsA in ligand-free state | Descriptor: | Thoeris protein ThsA Macro domain-containing protein | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, V, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | Deposit date: | 2023-12-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
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8V6T
| Crystal structure of EcThsB2 | Descriptor: | BROMIDE ION, Molecular chaperone Tir | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | Deposit date: | 2023-12-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
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8V6R
| Crystal structure of EcThsA in complex with ADPR | Descriptor: | Thoeris protein ThsA Macro domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | Deposit date: | 2023-12-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
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6OGD
| Cryo-EM structure of YenTcA in its prepore state | Descriptor: | Chitinase 2, Toxin subunit YenA1, Toxin subunit YenA2 | Authors: | Piper, S.J, Brillault, L, Box, J.K, Landsberg, M.J. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structures of the pore-forming A subunit from the Yersinia entomophaga ABC toxin. Nat Commun, 10, 2019
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7UWG
| The crystal structure of the TIR domain-containing protein from Acinetobacter baumannii (AbTir) | Descriptor: | HEXAETHYLENE GLYCOL, Molecular chaperone Tir, SULFATE ION | Authors: | Manik, M.K, Nanson, J.D, Ve, T, Kobe, B. | Deposit date: | 2022-05-03 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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7UXR
| Crystal structure of the BtTir TIR domain | Descriptor: | TIR domain protein | Authors: | Shi, Y, Masic, V, Mosaiab, T, Vasquez, E, Ve, T. | Deposit date: | 2022-05-06 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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7UXU
| CryoEM structure of the TIR domain from AbTir in complex with 3AD | Descriptor: | Molecular chaperone Tir, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Li, S, Nanson, J.D, Manik, M.K, Gu, W, Landsberg, M.J, Ve, T, Kobe, B. | Deposit date: | 2022-05-06 | Release date: | 2022-09-07 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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7UXS
| Crystal structure of the BcThsA SLOG domain in complex with 3'cADPR | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, BcThsA, GLYCEROL, ... | Authors: | Shi, Y, Masic, V, Mosaiab, T, Ve, T. | Deposit date: | 2022-05-06 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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7UXT
| Crystal structure of ligand-free SeThsA | Descriptor: | GLYCEROL, TRIETHYLENE GLYCOL, USG protein | Authors: | Shi, Y, Masic, V, Mosaiab, T, Nanson, J.D, Kobe, B, Ve, T. | Deposit date: | 2022-05-06 | Release date: | 2022-09-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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7LD0
| Cryo-EM structure of ligand-free Human SARM1 | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Nanson, J.D, Gu, W, Luo, Z, Jia, X, Landsberg, M.J, Kobe, B, Ve, T. | Deposit date: | 2021-01-12 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration. Neuron, 109, 2021
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7LCY
| Crystal structure of the ligand-free ARM domain from Drosophila SARM1 | Descriptor: | Isoform B of NAD(+) hydrolase sarm1 | Authors: | Gu, W, Nanson, J.D, Luo, Z, McGuinness, H.Y, Manik, M.K, Jia, X, Ve, T, Kobe, B. | Deposit date: | 2021-01-12 | Release date: | 2021-03-10 | Last modified: | 2021-04-21 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration. Neuron, 109, 2021
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7LCZ
| Crystal structure of the ARM domain from Drosophila SARM1 in complex with NMN | Descriptor: | 1,2-ETHANEDIOL, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Isoform B of NAD(+) hydrolase sarm1, ... | Authors: | Gu, W, Nanson, J.D, Luo, Z, Jia, X, Manik, M.K, Ve, T, Kobe, B. | Deposit date: | 2021-01-12 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration. Neuron, 109, 2021
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7M6K
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8V9A
| GII.NA1 Loreto 1257 norovirus protruding domain | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1 | Authors: | Kher, G, Kim, I, Pancera, M, Hansman, G. | Deposit date: | 2023-12-07 | Release date: | 2024-06-19 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses. J.Virol., 98, 2024
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8V97
| GII.17 CS-E1 norovirus protruding domain | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1, DI(HYDROXYETHYL)ETHER | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | Deposit date: | 2023-12-07 | Release date: | 2024-06-19 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses. J.Virol., 98, 2024
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