6DPT
 
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6DMH
 | | A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6DGU
 | | PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution | | Descriptor: | Beta-lactamase | | Authors: | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | | Deposit date: | 2018-05-18 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.691 Å) | | Cite: | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.
Antimicrob.Agents Chemother., 63, 2019
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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
 | | 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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6D3G
 | | PER-2 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 2.4 Angstrom resolution | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, TETRAETHYLENE GLYCOL | | Authors: | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | | Deposit date: | 2018-04-16 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.
Antimicrob.Agents Chemother., 63, 2019
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6D19
 | | Crystal structure of KPC-2 complexed with compound 9 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D18
 | | Crystal structure of KPC-2 complexed with compound 6 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D17
 | | Crystal structure of KPC-2 complexed with compound 3 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D16
 | | Crystal structure of KPC-2 complexed with compound 2 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D15
 | | Crystal structure of KPC-2 complexed with compound 1 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6CYU
 | | Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime | | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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6CYQ
 | | Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime | | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, GLYCEROL | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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6CYN
 | | CTX-M-14 N106S/D240G mutant | | Descriptor: | Beta-lactamase | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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6CYK
 | | CTX-M-14 N106S mutant | | Descriptor: | ACETATE ION, Beta-lactamase | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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6C7A
 | | Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | | Descriptor: | Beta-lactamase Toho-1, SULFATE ION | | Authors: | Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. | | Deposit date: | 2018-01-22 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
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6C79
 | | Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION | | Authors: | Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. | | Deposit date: | 2018-01-22 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
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6C78
 | | Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis | | Descriptor: | Beta-lactamase Toho-1 | | Authors: | Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L. | | Deposit date: | 2018-01-22 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | NEUTRON DIFFRACTION (1.75 Å) | | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
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6C3K
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6C39
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6BU3
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6BT6
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6BPF
 | | CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S. | | Deposit date: | 2017-11-23 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.318 Å) | | Cite: | Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
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6BN3
 | | CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | | Authors: | Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S. | | Deposit date: | 2017-11-16 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.278 Å) | | Cite: | Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
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6B6F
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