7S0V
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![BU of 7s0v by Molmil](/molmil-images/mine/7s0v) | |
6OOH
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![BU of 6ooh by Molmil](/molmil-images/mine/6ooh) | CTX-M-27 Beta Lactamase with Compound 14 | Descriptor: | 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase | Authors: | Kemp, M, Chen, Y. | Deposit date: | 2019-04-23 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase. Org Chem Front, 6, 2019
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6OOE
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![BU of 6ooe by Molmil](/molmil-images/mine/6ooe) | CTX-M-27 Beta Lactamase with Compound 20 | Descriptor: | 3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase | Authors: | Kemp, M, Chen, Y. | Deposit date: | 2019-04-23 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase. Org Chem Front, 6, 2019
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6OOF
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![BU of 6oof by Molmil](/molmil-images/mine/6oof) | CTX-M-14 Beta Lactamase with Compound 20 | Descriptor: | 3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase | Authors: | Kemp, M, Chen, Y. | Deposit date: | 2019-04-23 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.236 Å) | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase. Org Chem Front, 6, 2019
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6OOK
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![BU of 6ook by Molmil](/molmil-images/mine/6ook) | CTX-M-14 Beta Lactamase with Compound 3 | Descriptor: | 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase, PHOSPHATE ION | Authors: | Kemp, M, Chen, Y. | Deposit date: | 2019-04-23 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase. Org Chem Front, 6, 2019
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6OOJ
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![BU of 6ooj by Molmil](/molmil-images/mine/6ooj) | CTX-M-14 Beta Lactamase with Compound 14 | Descriptor: | 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase | Authors: | Kemp, M, Chen, Y. | Deposit date: | 2019-04-23 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase. Org Chem Front, 6, 2019
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6D7I
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![BU of 6d7i by Molmil](/molmil-images/mine/6d7i) | CTX-M-14 Apoenzyme D233N Point Mutant | Descriptor: | Beta-lactamase | Authors: | Kemp, M, Nichols, D, Chen, Y. | Deposit date: | 2018-04-24 | Release date: | 2019-07-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase To be Published
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6D7H
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![BU of 6d7h by Molmil](/molmil-images/mine/6d7h) | CTX-M-14 Apoenzyme | Descriptor: | Beta-lactamase, PHOSPHATE ION, POTASSIUM ION | Authors: | Kemp, M, Nichols, D, Chen, Y. | Deposit date: | 2018-04-24 | Release date: | 2019-07-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase To be Published
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7TOB
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![BU of 7tob by Molmil](/molmil-images/mine/7tob) | Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Sacco, M.D, Wang, J, Chen, Y. | Deposit date: | 2022-01-24 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition. Cell Res., 32, 2022
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6MZ2
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![BU of 6mz2 by Molmil](/molmil-images/mine/6mz2) | |
6MZ1
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![BU of 6mz1 by Molmil](/molmil-images/mine/6mz1) | |
8E2B
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![BU of 8e2b by Molmil](/molmil-images/mine/8e2b) | N-terminal domain of S. aureus GpsB | Descriptor: | Cell cycle protein GpsB, GLYCEROL | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2022-08-14 | Release date: | 2023-08-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB. Elife, 13, 2024
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8E2C
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![BU of 8e2c by Molmil](/molmil-images/mine/8e2c) | |
6UN3
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![BU of 6un3 by Molmil](/molmil-images/mine/6un3) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2019-10-10 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase. Antimicrob.Agents Chemother., 64, 2019
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6UN1
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![BU of 6un1 by Molmil](/molmil-images/mine/6un1) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin | Descriptor: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2019-10-10 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase. Antimicrob.Agents Chemother., 64, 2019
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6UNB
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![BU of 6unb by Molmil](/molmil-images/mine/6unb) | Crystal structure of CTX-M-14 in complex with temocillin | Descriptor: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2019-10-11 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase. Antimicrob.Agents Chemother., 64, 2019
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