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7WPI
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BU of 7wpi by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-(4-bromanyl-3-oxidanyl-phenyl)-1-[(1R)-2-[2-(2-tert-butylphenoxy)ethanoylamino]-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzimidazole-5-carboxamide, ACETATE ION, ...
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
7WPT
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BU of 7wpt by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment M2-80 and ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
7WPK
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BU of 7wpk by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with L-Met
Descriptor: METHIONINE, Methionine--tRNA ligase
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
7WPM
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BU of 7wpm by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase, ...
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
7WPX
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BU of 7wpx by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP
Descriptor: 1,2-ETHANEDIOL, 6-chloranylimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
7WQ0
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BU of 7wq0 by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase, ...
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
7WPN
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BU of 7wpn by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor and ATP
Descriptor: (phenylmethyl) N-[(2R)-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate, 1,2-ETHANEDIOL, ACETIC ACID, ...
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
7WPL
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BU of 7wpl by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
7WPJ
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BU of 7wpj by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, Methionine--tRNA ligase
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
5HXW
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BU of 5hxw by Molmil
L-amino acid deaminase from Proteus vulgaris
Descriptor: CETYL-TRIMETHYL-AMMONIUM, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
Authors:Zhou, H, Ju, Y, Niu, L, Teng, M.
Deposit date:2016-01-31
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
5I39
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BU of 5i39 by Molmil
High resolution structure of L-amino acid deaminase from Proteus vulgaris with the deletion of the specific insertion sequence
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
Authors:Zhou, H, Ju, Y, Niu, L, Teng, M.
Deposit date:2016-02-10
Release date:2016-08-03
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
7YSE
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BU of 7yse by Molmil
Crystal structure of E. coli heterotetrameric GlyRS in complex with tRNA
Descriptor: Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, MAGNESIUM ION, ...
Authors:Han, L, Ju, Y, Zhou, H.
Deposit date:2022-08-12
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:The binding mode of orphan glycyl-tRNA synthetase with tRNA supports the synthetase classification and reveals large domain movements.
Sci Adv, 9, 2023
6L2Q
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BU of 6l2q by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ...
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2019-10-05
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping.
Eur.J.Med.Chem., 187, 2019
7D5C
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BU of 7d5c by Molmil
IleRS in complex with a tRNA site inhibitor
Descriptor: (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, ...
Authors:Chen, B, Luo, S, Zhou, H.
Deposit date:2020-09-25
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase.
Nat Commun, 12, 2021
7DOR
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BU of 7dor by Molmil
E. coli GyrB ATPase domain in complex with 4-nitropheno
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-16
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-21
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-21
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-23
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-23
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQJ
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BU of 7dqj by Molmil
E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone
Descriptor: 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQF
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BU of 7dqf by Molmil
E. coli GyrB ATPase domain in complex with methyl 2,4-dihydroxybenzoate
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-23
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1H-benzimidazol-2-amine, 4-HYDROXY-BENZOIC ACID METHYL ESTER, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: 1H-benzimidazol-2-amine, 2-CHLOROPHENOL, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021

 

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