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8V6S
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BU of 8v6s by Molmil
Crystal structure of PcThsA in complex with Imidazole Adenine Dinucleotide
分子名称: 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
著者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.
登録日2023-12-02
公開日2024-06-12
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural characterization of macro domain-containing Thoeris antiphage defense systems.
Sci Adv, 10, 2024
8V6Q
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BU of 8v6q by Molmil
Crystal structure of EcThsA in ligand-free state
分子名称: Thoeris protein ThsA Macro domain-containing protein
著者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.
登録日2023-12-02
公開日2024-06-12
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural characterization of macro domain-containing Thoeris antiphage defense systems.
Sci Adv, 10, 2024
8V6T
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BU of 8v6t by Molmil
Crystal structure of EcThsB2
分子名称: BROMIDE ION, Molecular chaperone Tir
著者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.
登録日2023-12-02
公開日2024-06-12
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural characterization of macro domain-containing Thoeris antiphage defense systems.
Sci Adv, 10, 2024
8V6R
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BU of 8v6r by Molmil
Crystal structure of EcThsA in complex with ADPR
分子名称: 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
著者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.
登録日2023-12-02
公開日2024-06-12
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural characterization of macro domain-containing Thoeris antiphage defense systems.
Sci Adv, 10, 2024
7SE6
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BU of 7se6 by Molmil
Crystal structure of human Fibrillarin in ligand-free state
分子名称: FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEA
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BU of 7sea by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak
分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE7
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BU of 7se7 by Molmil
Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine
分子名称: S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SED
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BU of 7sed by Molmil
Crystal structure of human Fibrillarin in complex with compound 2a
分子名称: FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEC
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BU of 7sec by Molmil
Crystal structure of human Fibrillarin in complex with compound 1a
分子名称: 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE8
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BU of 7se8 by Molmil
Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak
分子名称: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEB
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BU of 7seb by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from single soak
分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE9
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BU of 7se9 by Molmil
Crystal structure of human Fibrillarin in complex with compound 1 from single soak
分子名称: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
6OGD
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BU of 6ogd by Molmil
Cryo-EM structure of YenTcA in its prepore state
分子名称: Chitinase 2, Toxin subunit YenA1, Toxin subunit YenA2
著者Piper, S.J, Brillault, L, Box, J.K, Landsberg, M.J.
登録日2019-04-02
公開日2019-05-08
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structures of the pore-forming A subunit from the Yersinia entomophaga ABC toxin.
Nat Commun, 10, 2019
7M6K
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BU of 7m6k by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with VMN
分子名称: 3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium, Isoform B of NAD(+) hydrolase sarm1, SODIUM ION
著者Gu, W, Luo, Z, Kobe, B.
登録日2021-03-25
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Neurotoxin-mediated potent activation of the axon degeneration regulator SARM1.
Elife, 10, 2021
7UWG
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BU of 7uwg by Molmil
The crystal structure of the TIR domain-containing protein from Acinetobacter baumannii (AbTir)
分子名称: HEXAETHYLENE GLYCOL, Molecular chaperone Tir, SULFATE ION
著者Manik, M.K, Nanson, J.D, Ve, T, Kobe, B.
登録日2022-05-03
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7UXR
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BU of 7uxr by Molmil
Crystal structure of the BtTir TIR domain
分子名称: TIR domain protein
著者Shi, Y, Masic, V, Mosaiab, T, Vasquez, E, Ve, T.
登録日2022-05-06
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7UXS
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BU of 7uxs by Molmil
Crystal structure of the BcThsA SLOG domain in complex with 3'cADPR
分子名称: (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, ...
著者Shi, Y, Masic, V, Mosaiab, T, Ve, T.
登録日2022-05-06
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7UXU
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BU of 7uxu by Molmil
CryoEM structure of the TIR domain from AbTir in complex with 3AD
分子名称: 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
著者Li, S, Nanson, J.D, Manik, M.K, Gu, W, Landsberg, M.J, Ve, T, Kobe, B.
登録日2022-05-06
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7UXT
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BU of 7uxt by Molmil
Crystal structure of ligand-free SeThsA
分子名称: GLYCEROL, TRIETHYLENE GLYCOL, USG protein
著者Shi, Y, Masic, V, Mosaiab, T, Nanson, J.D, Kobe, B, Ve, T.
登録日2022-05-06
公開日2022-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7LD0
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BU of 7ld0 by Molmil
Cryo-EM structure of ligand-free Human SARM1
分子名称: NAD(+) hydrolase SARM1
著者Nanson, J.D, Gu, W, Luo, Z, Jia, X, Landsberg, M.J, Kobe, B, Ve, T.
登録日2021-01-12
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
7LCY
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BU of 7lcy by Molmil
Crystal structure of the ligand-free ARM domain from Drosophila SARM1
分子名称: Isoform B of NAD(+) hydrolase sarm1
著者Gu, W, Nanson, J.D, Luo, Z, McGuinness, H.Y, Manik, M.K, Jia, X, Ve, T, Kobe, B.
登録日2021-01-12
公開日2021-03-10
最終更新日2021-04-21
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
7LCZ
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BU of 7lcz by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with NMN
分子名称: 1,2-ETHANEDIOL, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Isoform B of NAD(+) hydrolase sarm1, ...
著者Gu, W, Nanson, J.D, Luo, Z, Jia, X, Manik, M.K, Ve, T, Kobe, B.
登録日2021-01-12
公開日2021-03-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021

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