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7C9M
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BU of 7c9m by Molmil
The structure of product-bound CntL, an aminobutyrate transferase in staphylopine biosynthesis
分子名称: (2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, 5'-DEOXY-5'-METHYLTHIOADENOSINE, D-histidine 2-aminobutanoyltransferase
著者Luo, Z, Zhou, H.
登録日2020-06-06
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Faseb J., 35, 2021
7C9K
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BU of 7c9k by Molmil
Crystal Structure of E84Q mutant of CntL in complex with SAM
分子名称: CALCIUM ION, D-histidine 2-aminobutanoyltransferase, S-ADENOSYLMETHIONINE
著者Luo, Z, Zhou, H.
登録日2020-06-06
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Faseb J., 35, 2021
7DOR
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BU of 7dor by Molmil
E. coli GyrB ATPase domain in complex with 4-nitropheno
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ...
著者Yu, Y, Zhou, H.
登録日2020-12-16
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPR
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BU of 7dpr by Molmil
E. coli GyrB ATPase domain in complex with methyl 3,4-dihydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-21
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPS
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BU of 7dps by Molmil
E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-21
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQH
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BU of 7dqh by Molmil
E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQI
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BU of 7dqi by Molmil
E. coli GyrB ATPase domain in complex with Esculetin
分子名称: 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQJ
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E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone
分子名称: 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQF
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E. coli GyrB ATPase domain in complex with methyl 2,4-dihydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQU
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BU of 7dqu by Molmil
E. coli GyrB ATPase domain in complex with methyl 4-hydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, 4-HYDROXY-BENZOIC ACID METHYL ESTER, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQL
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BU of 7dql by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol
分子名称: 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQM
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BU of 7dqm by Molmil
E. coli GyrB ATPase domain in complex with Naringenin
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQS
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BU of 7dqs by Molmil
E. coli GyrB ATPase domain in complex with 2-chlorophenol
分子名称: 1H-benzimidazol-2-amine, 2-CHLOROPHENOL, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQW
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BU of 7dqw by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorophenol
分子名称: 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7EIV
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BU of 7eiv by Molmil
heterotetrameric glycyl-tRNA synthetase from Escherichia coli
分子名称: GLYCINE, Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, ...
著者Ju, Y, Zhou, H.
登録日2021-03-31
公開日2021-08-11
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications.
Nucleic Acids Res., 49, 2021
7D5C
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BU of 7d5c by Molmil
IleRS in complex with a tRNA site inhibitor
分子名称: (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid, 1,2-ETHANEDIOL, Isoleucine--tRNA ligase, ...
著者Chen, B, Luo, S, Zhou, H.
登録日2020-09-25
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase.
Nat Commun, 12, 2021
7Y0W
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BU of 7y0w by Molmil
Local structure of BD55-5514 and BD55-5840 Fab and Omicron BA.1 RBD complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5514H, BD55-5514L, ...
著者Zhang, Z, Xiao, J.
登録日2022-06-06
公開日2022-09-28
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7Y0V
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BU of 7y0v by Molmil
The co-crystal structure of BA.1-RBD with Fab-5549
分子名称: 5549-Fab, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Xiao, J.Y, Zhang, Y.
登録日2022-06-06
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7Y0C
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Crystal structure of BD55-1403 and SARS-CoV-2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-1403 Fab heavy chain, BD55-1403 Fab light chain, ...
著者Zhang, Z, Xiao, J.
登録日2022-06-04
公開日2022-09-28
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7WRJ
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BU of 7wrj by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-4637 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-4637H, BD55-4637L, ...
著者Du, S, Xiao, J.Y.
登録日2022-01-26
公開日2022-09-28
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.08 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7WRY
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BU of 7wry by Molmil
Local structure of BD55-3546 Fab and SARS-COV2 Delta RBD complex
分子名称: BD55-3546H, BD55-3546L, Spike protein S1, ...
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-27
公開日2022-09-28
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7WM7
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BU of 7wm7 by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
分子名称: (2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide, Threonine--tRNA ligase, ZINC ION
著者Cai, Z, Chen, B, Yu, Y, Zhou, H.
登録日2022-01-14
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
7WMF
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BU of 7wmf by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
分子名称: (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ...
著者Cai, Z, Chen, B, Yu, Y, Zhou, H.
登録日2022-01-14
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
7WMI
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BU of 7wmi by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
分子名称: (2S,3R)-2-azanyl-N-[(1R)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ...
著者Cai, Z, Chen, B, Yu, Y, Zhou, H.
登録日2022-01-14
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
7YSE
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BU of 7yse by Molmil
Crystal structure of E. coli heterotetrameric GlyRS in complex with tRNA
分子名称: Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, MAGNESIUM ION, ...
著者Han, L, Ju, Y, Zhou, H.
登録日2022-08-12
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献The binding mode of orphan glycyl-tRNA synthetase with tRNA supports the synthetase classification and reveals large domain movements.
Sci Adv, 9, 2023
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