8XFV
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![BU of 8xfv by Molmil](/molmil-images/mine/8xfv) | |
5LS3
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![BU of 5ls3 by Molmil](/molmil-images/mine/5ls3) | |
7YHD
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![BU of 7yhd by Molmil](/molmil-images/mine/7yhd) | Crystal structure of VIM-2 MBL in complex with 3-(4-(4-(2-aminoethoxy)phenyl)-1H-1,2,3-triazol-1-yl)phthalic acid | Descriptor: | 3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
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7YHB
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![BU of 7yhb by Molmil](/molmil-images/mine/7yhb) | Crystal structure of VIM-2 MBL in complex with (2-(4-phenyl-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid | Descriptor: | Beta-lactamase class B VIM-2, ZINC ION, [2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
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7YH9
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![BU of 7yh9 by Molmil](/molmil-images/mine/7yh9) | Crystal structure of IMP-1 MBL in complex with 3-(4-benzyl-1H-1,2,3-triazol-1-yl)phthalic acid | Descriptor: | 3-[4-(phenylmethyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B IMP-1, ZINC ION | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
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7YHA
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![BU of 7yha by Molmil](/molmil-images/mine/7yha) | Crystal structure of IMP-1 MBL in complex with (3-(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid | Descriptor: | Beta-lactamase class B IMP-1, ZINC ION, [3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.135 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
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7YHC
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![BU of 7yhc by Molmil](/molmil-images/mine/7yhc) | Crystal structure of VIM-2 MBL in complex with 3-(4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl)phthalic acid | Descriptor: | 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
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8HXP
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![BU of 8hxp by Molmil](/molmil-images/mine/8hxp) | 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
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8HXO
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![BU of 8hxo by Molmil](/molmil-images/mine/8hxo) | 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
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8HXE
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![BU of 8hxe by Molmil](/molmil-images/mine/8hxe) | 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
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8HXU
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![BU of 8hxu by Molmil](/molmil-images/mine/8hxu) | 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
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8HXN
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![BU of 8hxn by Molmil](/molmil-images/mine/8hxn) | 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
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8HY2
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![BU of 8hy2 by Molmil](/molmil-images/mine/8hy2) | 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
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8HXW
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![BU of 8hxw by Molmil](/molmil-images/mine/8hxw) | 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
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8HY6
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![BU of 8hy6 by Molmil](/molmil-images/mine/8hy6) | 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
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8HXI
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![BU of 8hxi by Molmil](/molmil-images/mine/8hxi) | 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
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8HY1
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![BU of 8hy1 by Molmil](/molmil-images/mine/8hy1) | 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
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8HX5
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![BU of 8hx5 by Molmil](/molmil-images/mine/8hx5) | 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
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8HXV
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![BU of 8hxv by Molmil](/molmil-images/mine/8hxv) | 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
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8HYD
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![BU of 8hyd by Molmil](/molmil-images/mine/8hyd) | 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
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8JAO
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![BU of 8jao by Molmil](/molmil-images/mine/8jao) | |
4Z9P
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![BU of 4z9p by Molmil](/molmil-images/mine/4z9p) | Crystal structure of Ebola virus nucleoprotein core domain at 1.8A resolution | Descriptor: | Nucleoprotein | Authors: | Guo, Y, Dong, S.S, Yang, P, Li, G.B, Liu, B.C, Yang, C, Rao, Z.H. | Deposit date: | 2015-04-11 | Release date: | 2015-05-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Insight into the Ebola virus nucleocapsid assembly mechanism: crystal structure of Ebola virus nucleoprotein core domain at 1.8 A resolution. Protein Cell, 6, 2015
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5XHS
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![BU of 5xhs by Molmil](/molmil-images/mine/5xhs) | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | Descriptor: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... | Authors: | Yu, Y, Li, B, Chen, Q. | Deposit date: | 2017-04-24 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design Rsc Adv, 7, 2017
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5YQN
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![BU of 5yqn by Molmil](/molmil-images/mine/5yqn) | Crystal structure of Sirt2 in complex with selective inhibitor L55 | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQO
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![BU of 5yqo by Molmil](/molmil-images/mine/5yqo) | Crystal structure of Sirt2 in complex with selective inhibitor L5C | Descriptor: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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