6QW9
 
 | | Crystal structure of KPC-2 complexed with relebactam (16 hour soak) | | 分子名称: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ... | | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | | 登録日 | 2019-03-05 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
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6D17
 | | Crystal structure of KPC-2 complexed with compound 3 | | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D19
 | | Crystal structure of KPC-2 complexed with compound 9 | | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D3G
 | | PER-2 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 2.4 Angstrom resolution | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, TETRAETHYLENE GLYCOL | | 著者 | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | | 登録日 | 2018-04-16 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.398 Å) | | 主引用文献 | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.
Antimicrob.Agents Chemother., 63, 2019
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6CYU
 | | Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime | | 分子名称: | (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 | | 著者 | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | 登録日 | 2018-04-06 | | 公開日 | 2018-10-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | 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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6D18
 | | Crystal structure of KPC-2 complexed with compound 6 | | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6DGU
 | | PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution | | 分子名称: | Beta-lactamase | | 著者 | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | | 登録日 | 2018-05-18 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.691 Å) | | 主引用文献 | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.
Antimicrob.Agents Chemother., 63, 2019
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7K2X
 | | Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase | | 分子名称: | Beta-lactamase, GLYCEROL | | 著者 | Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V. | | 登録日 | 2020-09-09 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
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7K2W
 | | Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed cefotaxime | | 分子名称: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | | 著者 | Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V. | | 登録日 | 2020-09-09 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
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7K8F
 | | Beta-lactamase mixed with Ceftriaxone, 10ms | | 分子名称: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2020-09-26 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.60003138 Å) | | 主引用文献 | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
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7K8H
 | | Beta-lactamase mixed with Ceftriaxone, 50ms | | 分子名称: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2020-09-27 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.60006261 Å) | | 主引用文献 | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
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7K8K
 | | Beta-lactamase mixed with Sulbactam, 60ms | | 分子名称: | Beta-lactamase, PHOSPHATE ION, SULBACTAM, ... | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2020-09-27 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
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7K8L
 | | Beta-lactamase, Unmixed | | 分子名称: | Beta-lactamase, PHOSPHATE ION | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2020-09-27 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8000102 Å) | | 主引用文献 | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
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7K2Y
 | | Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed ampicillin | | 分子名称: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | | 著者 | Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V. | | 登録日 | 2020-09-09 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
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6SP6
 | | Ultra-high Resolution Crystal Structure of the CTX-M-15 Extended-Spectrum beta-Lactamase in Complex with Taniborbactam (VNRX-5133) | | 分子名称: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | 登録日 | 2019-08-31 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
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7K8E
 | | Beta-lactamase mixed with Ceftriaxone, 5ms | | 分子名称: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2020-09-26 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.40005636 Å) | | 主引用文献 | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
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6QW8
 | | Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak) | | 分子名称: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ... | | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | | 登録日 | 2019-03-05 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
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6QWE
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6QWC
 | | Crystal structure of KPC-4 complexed with relebactam (1 hour soak) | | 分子名称: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ... | | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | | 登録日 | 2019-03-05 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
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6QW7
 | | Crystal structure of L2 complexed with relebactam (16 hour soak) | | 分子名称: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, D-SERINE | | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | | 登録日 | 2019-03-05 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
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7KCX
 | | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with cefoxitin | | 分子名称: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | | 著者 | Alexander, J.A.N, Strynadka, N.C.J. | | 登録日 | 2020-10-07 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
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7KCW
 | | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with nafcillin | | 分子名称: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | | 著者 | Alexander, J.A, Strynadka, N.C. | | 登録日 | 2020-10-07 | | 公開日 | 2021-06-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
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7KCV
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7KCY
 | | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) with cefoxitin | | 分子名称: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | | 著者 | Alexander, J.A.N, Strynadka, N.C.J. | | 登録日 | 2020-10-07 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
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1BZA
 | | BETA-LACTAMASE TOHO-1 FROM ESCHERICHIA COLI TUH12191 | | 分子名称: | BETA-LACTAMASE, SULFATE ION | | 著者 | Ibuka, A, Taguchi, A, Ishiguro, M, Fushinobu, S, Ishii, Y, Kamitori, S, Okuyama, K, Yamaguchi, K, Konno, M, Matsuzawa, H. | | 登録日 | 1998-10-28 | | 公開日 | 1999-04-27 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the E166A mutant of extended-spectrum beta-lactamase Toho-1 at 1.8 A resolution.
J.Mol.Biol., 285, 1999
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