6VOT
| Crystal structure of Pseudomonas aerugonisa PBP3 complexed to gamma-lactam YU253434 | 分子名称: | 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | 著者 | van den Akker, F. | 登録日 | 2020-01-31 | 公開日 | 2020-05-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A gamma-Lactam Siderophore Antibiotic Effective against Multidrug-Resistant Gram-Negative Bacilli. J.Med.Chem., 63, 2020
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6VJE
| Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed with ceftobiprole | 分子名称: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Peptidoglycan D,D-transpeptidase FtsI | 著者 | van den Akker, F, Kumar, V. | 登録日 | 2020-01-15 | 公開日 | 2020-03-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural Insights into Ceftobiprole Inhibition of Pseudomonas aeruginosa Penicillin-Binding Protein 3. Antimicrob.Agents Chemother., 64, 2020
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5ZYB
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6B1J
| Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by soaking | 分子名称: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ... | 著者 | van den Akker, F, Nguyen, N.Q. | 登録日 | 2017-09-18 | 公開日 | 2018-08-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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6B1F
| Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by soaking | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, 1,2-ETHANEDIOL, CITRIC ACID, ... | 著者 | van den Akker, F, Nguyen, N.Q. | 登録日 | 2017-09-18 | 公開日 | 2018-08-01 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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6B1X
| Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by soaking | 分子名称: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ... | 著者 | van den Akker, F, Nguyen, N.Q. | 登録日 | 2017-09-19 | 公開日 | 2018-08-01 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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6B1H
| Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by co-crystallization | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, ACETATE ION, CHLORIDE ION, ... | 著者 | van den Akker, F, Nhuyen, N.Q. | 登録日 | 2017-09-18 | 公開日 | 2018-08-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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6B1W
| Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by co-crystallization | 分子名称: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ... | 著者 | van den Akker, F, Nguyen, N.Q. | 登録日 | 2017-09-19 | 公開日 | 2018-08-01 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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6B22
| Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION | 著者 | van den Akker, F, Nguyen, N.Q. | 登録日 | 2017-09-19 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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6B1Y
| Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by co-crystallization | 分子名称: | (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ... | 著者 | van den Akker, F, Nguyen, N.Q. | 登録日 | 2017-09-19 | 公開日 | 2018-08-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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7LC4
| Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911 | 分子名称: | 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | 著者 | van den Akker, F, Kumar, V. | 登録日 | 2021-01-09 | 公開日 | 2021-04-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A gamma-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp. Eur.J.Med.Chem., 220, 2021
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7M4U
| A. baumannii Ribosome-Eravacycline complex: 30S | 分子名称: | 16s Ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | 著者 | Morgan, C.E, Yu, E.W. | 登録日 | 2021-03-22 | 公開日 | 2021-05-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | 主引用文献 | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7M4P
| Multidrug Efflux pump AdeJ with Eravacycline bound | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Efflux pump membrane transporter, Eravacycline | 著者 | Zhang, Z. | 登録日 | 2021-03-22 | 公開日 | 2021-05-19 | 最終更新日 | 2022-03-02 | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | 主引用文献 | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7M4Q
| Multidrug Efflux pump AdeJ | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Efflux pump membrane transporter | 著者 | Zhang, Z. | 登録日 | 2021-03-22 | 公開日 | 2021-05-19 | 最終更新日 | 2021-09-01 | 実験手法 | ELECTRON MICROSCOPY (2.87 Å) | 主引用文献 | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7M4Z
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7M4Y
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7M4V
| A. baumannii Ribosome-Eravacycline complex: 50S | 分子名称: | 23s ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | 著者 | Morgan, C.E, Yu, E.W. | 登録日 | 2021-03-22 | 公開日 | 2021-05-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.54 Å) | 主引用文献 | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7M4X
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7M4W
| A. baumannii Ribosome-Eravacycline complex: Empty 70S | 分子名称: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Morgan, C.E, Yu, E.W. | 登録日 | 2021-03-22 | 公開日 | 2021-05-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | 主引用文献 | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7LY1
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5WIH
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5WIG
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7RYG
| A. baumannii Ribosome-TP-6076 complex: E-site tRNA 70S | 分子名称: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ... | 著者 | Morgan, C.E, Yu, E.W. | 登録日 | 2021-08-25 | 公開日 | 2022-02-02 | 最終更新日 | 2022-12-07 | 実験手法 | ELECTRON MICROSCOPY (2.38 Å) | 主引用文献 | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii. Mbio, 13, 2022
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7RYH
| A. baumannii Ribosome-TP-6076 complex: Empty 70S | 分子名称: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ... | 著者 | Morgan, C.E, Yu, E.W. | 登録日 | 2021-08-25 | 公開日 | 2022-02-02 | 最終更新日 | 2022-12-07 | 実験手法 | ELECTRON MICROSCOPY (2.43 Å) | 主引用文献 | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii. Mbio, 13, 2022
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7RY3
| Multidrug Efflux pump AdeJ with TP-6076 bound | 分子名称: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, Efflux pump membrane transporter | 著者 | Zhang, Z. | 登録日 | 2021-08-24 | 公開日 | 2022-02-02 | 最終更新日 | 2022-12-07 | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | 主引用文献 | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii. Mbio, 13, 2022
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