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8XGT
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BU of 8xgt by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 2024
8XGY
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Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-16
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 2024
8HXI
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BU of 8hxi by Molmil
Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-isopropylbenzyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1 type 3, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-04
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY1
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BU of 8hy1 by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(thiophen-2-ylmethyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXO
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BU of 8hxo by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-isobutylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXN
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BU of 8hxn by Molmil
Crystal structure of B2 Sfh-I MBL in complex with 2-amino-5-(4-(but-3-en-1-yloxy)benzyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ETHANOL, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY2
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BU of 8hy2 by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXE
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BU of 8hxe by Molmil
Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-propylbenzyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Metallo-beta-lactamase L1 type 3, THIOCYANATE ION, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-04
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXW
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BU of 8hxw by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-heptylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXV
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BU of 8hxv by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-hexylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HX5
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BU of 8hx5 by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(4-methoxybenzyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-04
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXP
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BU of 8hxp by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(but-3-en-1-yl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY6
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BU of 8hy6 by Molmil
Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXU
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BU of 8hxu by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-pentylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
6KRG
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BU of 6krg by Molmil
Crystal structure of sfGFP Y182TMSiPhe
Descriptor: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2019-08-21
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
8HYD
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BU of 8hyd by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-06
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8JAO
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BU of 8jao by Molmil
Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2023-05-06
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8KHQ
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BU of 8khq by Molmil
Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine
Descriptor: 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ...
Authors:Wang, J, Ye, K, Wang, X.Y, Yan, W.P.
Deposit date:2023-08-22
Release date:2023-12-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis.
Acs Catalysis, 13, 2023
7CKG
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BU of 7ckg by Molmil
Crystal structure of TMSiPheRS complexed with TMSiPhe
Descriptor: 4-(trimethylsilyl)-L-phenylalanine, Tyrosine--tRNA ligase
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2020-07-17
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
7CKH
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BU of 7ckh by Molmil
Crystal structure of TMSiPheRS
Descriptor: Tyrosine--tRNA ligase
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2020-07-17
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79492676 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
7WSB
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BU of 7wsb by Molmil
The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B
Descriptor: 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ...
Authors:Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P.
Deposit date:2022-01-28
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Jacs Au, 2, 2022
7V8P
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BU of 7v8p by Molmil
Crystal Structure of the MukE dimer
Descriptor: Chromosome partition protein MukE
Authors:Qian, J.W, Guo, L.
Deposit date:2021-08-23
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of the chromosome partition protein MukE homodimer.
Biochem.Biophys.Res.Commun., 589, 2021
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PDB entries from 2024-06-12

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