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6L4L
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BU of 6l4l by Molmil
Crystal structure of S. aureus CntK in inactive state
Descriptor: 1,2-ETHANEDIOL, Diaminopimelate epimerase
Authors:Ju, Y, Luo, S, Zhou, H.
Deposit date:2019-10-18
Release date:2020-10-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of S. aureus CntK in inactive state
To Be Published
7EIV
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BU of 7eiv by Molmil
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:2021-10-27
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
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
6L3X
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BU of 6l3x by Molmil
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
6L40
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BU of 6l40 by Molmil
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
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
6BNH
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BU of 6bnh by Molmil
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
7CBB
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BU of 7cbb by Molmil
Crystal structure of SbnC in the biosynthesis of staphyloferrin B
Descriptor: ADENOSINE MONOPHOSPHATE, IucA/IucC family siderophore biosynthesis protein
Authors:Tang, J, Ju, Y, Zhou, H.
Deposit date:2020-06-11
Release date:2020-09-23
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Characterization of SbnC as a Representative Type B Siderophore Synthetase.
Acs Chem.Biol., 15, 2020
6JIS
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BU of 6jis by Molmil
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
6JIW
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BU of 6jiw by Molmil
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
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
6KNI
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BU of 6kni by Molmil
Crystal structure of SbnH in complex with the cofactor PLP, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis
Descriptor: PYRIDOXAL-5'-PHOSPHATE, 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 (1.97 Å)
Cite:Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
6KNH
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BU of 6knh by Molmil
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
6KNK
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BU of 6knk by Molmil
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
8I60
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BU of 8i60 by Molmil
Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr
Descriptor: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ...
Authors:Konuma, T, Zhou, M.-M.
Deposit date:2023-01-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin.
Mol.Cell, 83, 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
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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

 

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