8SJ3
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![BU of 8sj3 by Molmil](/molmil-images/mine/8sj3) | |
8SQF
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![BU of 8sqf by Molmil](/molmil-images/mine/8sqf) | OXA-48 bound to inhibitor CDD-2725 | 分子名称: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2023-05-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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2GU0
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![BU of 2gu0 by Molmil](/molmil-images/mine/2gu0) | |
6V6G
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![BU of 6v6g by Molmil](/molmil-images/mine/6v6g) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase | 分子名称: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION | 著者 | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2019-12-05 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V6P
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![BU of 6v6p by Molmil](/molmil-images/mine/6v6p) | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase | 分子名称: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION | 著者 | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2019-12-05 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6UVK
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![BU of 6uvk by Molmil](/molmil-images/mine/6uvk) | OXA-48 bound by inhibitor CDD-97 | 分子名称: | 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G. | 登録日 | 2019-11-02 | 公開日 | 2020-05-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries. Acs Infect Dis., 6, 2020
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5TWD
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![BU of 5twd by Molmil](/molmil-images/mine/5twd) | CTX-M-14 P167S apoenzyme | 分子名称: | Beta-lactamase | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2016-11-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5TW6
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![BU of 5tw6 by Molmil](/molmil-images/mine/5tw6) | CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule | 分子名称: | 1,2-ETHANEDIOL, ACYLATED CEFTAZIDIME, Beta-lactamase | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2016-11-11 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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6V8V
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![BU of 6v8v by Molmil](/molmil-images/mine/6v8v) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2 | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase | 著者 | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2019-12-12 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V83
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![BU of 6v83 by Molmil](/molmil-images/mine/6v83) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1 | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase | 著者 | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2019-12-10 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V5E
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![BU of 6v5e by Molmil](/molmil-images/mine/6v5e) | Crystal structure of CTX-M-14 P167S/D240G beta-lactamase | 分子名称: | Beta-lactamase | 著者 | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2019-12-04 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V7T
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![BU of 6v7t by Molmil](/molmil-images/mine/6v7t) | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase | 著者 | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2019-12-09 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6VP0
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![BU of 6vp0 by Molmil](/molmil-images/mine/6vp0) | Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Diacylglycerol O-acyltransferase 1, Lauryl Maltose Neopentyl Glycol, ... | 著者 | Wang, L, Qian, H, Han, Y, Nian, Y, Ren, Z, Zhang, H, Hu, L, Prasad, B.V.V, Yan, N, Zhou, M. | 登録日 | 2020-02-01 | 公開日 | 2020-05-13 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structure and mechanism of human diacylglycerol O-acyltransferase 1. Nature, 581, 2020
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5TWE
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![BU of 5twe by Molmil](/molmil-images/mine/5twe) | CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2016-11-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5U53
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![BU of 5u53 by Molmil](/molmil-images/mine/5u53) | CTX-M-14 E166A with acylated ceftazidime molecule | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase, NITRATE ION | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2016-12-06 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5VTH
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![BU of 5vth by Molmil](/molmil-images/mine/5vth) | CTX-M-14 P167S:E166A mutant | 分子名称: | Beta-lactamase | 著者 | Hu, L, Patel, M, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2017-05-17 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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7K5V
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![BU of 7k5v by Molmil](/molmil-images/mine/7k5v) | OXA-48 bound by Compound 3.1 | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | 登録日 | 2020-09-17 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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7K6V
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![BU of 7k6v by Molmil](/molmil-images/mine/7k6v) | |
7KHY
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![BU of 7khy by Molmil](/molmil-images/mine/7khy) | Crystal structure of OXA-163 K73A in complex with meropenem | 分子名称: | (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, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | 著者 | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | 登録日 | 2020-10-22 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KH9
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![BU of 7kh9 by Molmil](/molmil-images/mine/7kh9) | Crystal structure of OXA-48 K73A in complex with imipenem | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION | 著者 | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | 登録日 | 2020-10-20 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KHZ
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![BU of 7khz by Molmil](/molmil-images/mine/7khz) | Crystal structure of OXA-163 K73A in complex with imipenem | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION, ... | 著者 | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | 登録日 | 2020-10-22 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KHQ
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![BU of 7khq by Molmil](/molmil-images/mine/7khq) | Crystal structure of OXA-48 K73A in complex with meropenem | 分子名称: | (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, Beta-lactamase, CHLORIDE ION, ... | 著者 | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | 登録日 | 2020-10-21 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7K2Y
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![BU of 7k2y by Molmil](/molmil-images/mine/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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7JHQ
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![BU of 7jhq by Molmil](/molmil-images/mine/7jhq) | OXA-48 bound by Compound 2.3 | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase OXA-48, CHLORIDE ION, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | 登録日 | 2020-07-21 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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7L8O
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![BU of 7l8o by Molmil](/molmil-images/mine/7l8o) | OXA-48 bound by Compound 4.3 | 分子名称: | 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | 登録日 | 2020-12-31 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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