8U55
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![BU of 8u55 by Molmil](/molmil-images/mine/8u55) | |
6XJ8
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![BU of 6xj8 by Molmil](/molmil-images/mine/6xj8) | KPC-2 N170A mutant bound to hydrolyzed imipenem at 2.05 A | 分子名称: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2020-06-23 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate. J.Biol.Chem., 296, 2020
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6XD5
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![BU of 6xd5 by Molmil](/molmil-images/mine/6xd5) | Apo KPC-2 N170A mutant at 1.20 A | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2020-06-10 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate. J.Biol.Chem., 296, 2020
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6XD7
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![BU of 6xd7 by Molmil](/molmil-images/mine/6xd7) | KPC-2 N170A mutant bound to hydrolyzed ampicillin at 1.65 A | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2020-06-10 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate. J.Biol.Chem., 296, 2020
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6V1P
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![BU of 6v1p by Molmil](/molmil-images/mine/6v1p) | Structure of VIM-2 bound to QPX7728 at 1.20 A | 分子名称: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2019-11-20 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6V1O
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![BU of 6v1o by Molmil](/molmil-images/mine/6v1o) | Structure of OXA-48 bound to QPX7728 at 1.80 A | 分子名称: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2019-11-20 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6V1M
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![BU of 6v1m by Molmil](/molmil-images/mine/6v1m) | Structure of NDM-1 bound to QPX7728 at 1.05 A | 分子名称: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2019-11-20 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6V7H
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![BU of 6v7h by Molmil](/molmil-images/mine/6v7h) | Structure of CTX-M-14 bound to Vaborbactam at 1.0 A | 分子名称: | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ... | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2019-12-08 | 公開日 | 2020-08-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition. Antimicrob.Agents Chemother., 64, 2020
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6V1J
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![BU of 6v1j by Molmil](/molmil-images/mine/6v1j) | Structure of KPC-2 bound to QPX7728 at 1.30 A | 分子名称: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ... | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2019-11-20 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6V7I
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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) | |
5UJ3
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![BU of 5uj3 by Molmil](/molmil-images/mine/5uj3) | Crystal structure of the KPC-2 beta-lactamase complexed 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, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2017-01-16 | 公開日 | 2017-04-26 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2). J. Med. Chem., 60, 2017
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5UL8
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![BU of 5ul8 by Molmil](/molmil-images/mine/5ul8) | |
5UJ4
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![BU of 5uj4 by Molmil](/molmil-images/mine/5uj4) | Crystal structure of the KPC-2 beta-lactamase complexed with hydrolyzed faropenem | 分子名称: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2017-01-16 | 公開日 | 2017-04-26 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2). J. Med. Chem., 60, 2017
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6DD1
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6DD0
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![BU of 6dd0 by Molmil](/molmil-images/mine/6dd0) | |
6BU3
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![BU of 6bu3 by Molmil](/molmil-images/mine/6bu3) | |
6BT6
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![BU of 6bt6 by Molmil](/molmil-images/mine/6bt6) | |
6D1D
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![BU of 6d1d by Molmil](/molmil-images/mine/6d1d) | |
6D1I
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6D1B
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6D1H
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6D15
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![BU of 6d15 by Molmil](/molmil-images/mine/6d15) | Crystal structure of KPC-2 complexed with compound 1 | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6,7-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 (1.3 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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6D1F
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