7EIV
 
 | | heterotetrameric glycyl-tRNA synthetase from Escherichia coli | | Descriptor: | GLYCINE, Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, ... | | Authors: | Ju, Y, Zhou, H. | | Deposit date: | 2021-03-31 | | Release date: | 2021-08-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications.
Nucleic Acids Res., 49, 2021
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6L4L
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5HXW
 | | 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
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5I39
 | | 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: | 2024-10-30 | | 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
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6L40
 | | Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid | | Authors: | Luo, Y.F, Bao, R, Ju, Y, He, L.H. | | Deposit date: | 2019-10-15 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020
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6L3X
 | | Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid | | Authors: | Luo, Y.F, Bao, R, Ju, Y, He, L.H. | | Deposit date: | 2019-10-15 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3054 Å) | | Cite: | Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020
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7CBB
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6BNH
 | | Solution NMR structures of BRD4 ET domain with JMJD6 peptide | | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Bromodomain-containing protein 4 | | Authors: | Konuma, T, Yu, D, Zhao, C, Ju, Y, Sharma, R, Ren, C, Zhang, Q, Zhou, M.-M, Zeng, L. | | Deposit date: | 2017-11-16 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4.
Sci Rep, 7, 2017
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7YSE
 | | 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
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6JIS
 | | Crystal structure of the histidine racemase CntK in cobalt and nickel transporter system of staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | | Authors: | Luo, S, Ju, Y, Zhou, H. | | Deposit date: | 2019-02-23 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
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6JIW
 | | Crystal structure of S. aureus CntK with C72S mutation | | Descriptor: | 1,2-ETHANEDIOL, Diaminopimelate epimerase, SULFATE ION | | Authors: | Luo, S, Ju, Y, Zhou, H. | | Deposit date: | 2019-02-23 | | Release date: | 2019-10-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
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6KNH
 | | Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis | | Descriptor: | CITRIC ACID, PHOSPHATE ION, Probable diaminopimelate decarboxylase protein | | Authors: | Tang, J, Ju, Y, Zhou, H. | | Deposit date: | 2019-08-05 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
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6KNK
 | | Crystal structure of SbnH in complex with citryl-diaminoethane | | Descriptor: | (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, (2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, PHOSPHATE ION, ... | | Authors: | Tang, J, Ju, Y, Zhou, H. | | Deposit date: | 2019-08-05 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
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6KNI
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6L2Q
 | | 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
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1R21
 | | Solution Structure of human Ki67 FHA Domain | | Descriptor: | Antigen Ki-67 | | Authors: | Byeon, I.J, Li, H, Tsai, M.D. | | Deposit date: | 2003-09-25 | | Release date: | 2003-12-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of Human Ki67 FHA Domain and its Binding to a Phosphoprotein Fragment from hNIFK Reveal Unique Recognition Sites and New Views to the Structural Basis of FHA Domain Functions
J.Mol.Biol., 335, 2004
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7CBG
 | | Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | | Descriptor: | (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, Threonine--tRNA ligase, ZINC ION | | Authors: | Guo, J, Chen, B, Zhou, H. | | Deposit date: | 2020-06-12 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
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7CBI
 | | Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate, GLYCEROL, ... | | Authors: | Guo, J, Chen, B, Zhou, H. | | Deposit date: | 2020-06-12 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
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9J1H
 | | The binary complex structure of F2Y224-FtmOx1 mutant with alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, GLYCEROL, ... | | Authors: | Wang, X.Y, Wang, J, Yan, W.P. | | Deposit date: | 2024-08-05 | | Release date: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterizing Y224 conformational flexibility in FtmOx1-catalysis using 19 F NMR spectroscopy.
Catalysis Science And Technology, 15, 2025
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9J1I
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8ZX0
 | | Crystal Structure of CntL in complex with a dual-site inhibitor | | Descriptor: | (2S)-2-[2-[[(2S,3S,4R,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]ethylamino]-3-(1H-imidazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Luo, Z, Zhou, H. | | Deposit date: | 2024-06-13 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Structure-guided inhibitor design targeting CntL provides the first chemical validation of the staphylopine metallophore system in bacterial metal acquisition.
Eur.J.Med.Chem., 280, 2024
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5ULA
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5ZNK
 | | Crystal structure of a bacterial ProRS with ligands | | Descriptor: | 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cheng, B, Yu, Y, Zhou, H. | | Deposit date: | 2018-04-09 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
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5ZNJ
 | | Crystal structure of a bacterial ProRS with ligands | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cheng, B, Yu, Y, Zhou, H. | | Deposit date: | 2018-04-09 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
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7CBH
 | | Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | | Descriptor: | Threonine--tRNA ligase, ZINC ION, [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate | | Authors: | Guo, J, Chen, B, Zhou, H. | | Deposit date: | 2020-06-12 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
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