6C89
| NDM-1 Beta-Lactamase Exhibits Differential Active Site Sequence Requirements for the Hydrolysis of Penicillin versus Carbapenem Antibiotics | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | 著者 | Palzkill, T, Sun, Z, Sankaran, B. | 登録日 | 2018-01-24 | 公開日 | 2018-12-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.75006151 Å) | 主引用文献 | Differential active site requirements for NDM-1 beta-lactamase hydrolysis of carbapenem versus penicillin and cephalosporin antibiotics. Nat Commun, 9, 2018
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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
| 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
| 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
| 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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5K4P
| Catalytic Domain of MCR-1 phosphoethanolamine transferase | 分子名称: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, sorbitol | 著者 | Stojanoski, V, Palzkill, T, Prasad, B.V.V, Sankaran, B. | 登録日 | 2016-05-21 | 公開日 | 2016-08-31 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.318 Å) | 主引用文献 | Structure of the catalytic domain of the colistin resistance enzyme MCR-1. Bmc Biol., 14, 2016
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3CMZ
| TEM-1 Class-A beta-lactamase L201P mutant apo structure | 分子名称: | Beta-lactamase TEM, PHOSPHATE ION | 著者 | Marciano, D.C, Wang, X, Wang, J, Chen, Y, Thomas, V.L, Shoichet, B.K, Palzkill, T. | 登録日 | 2008-03-24 | 公開日 | 2008-11-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Genetic and structural characterization of an L201P global suppressor substitution in TEM-1 beta-lactamase J.Mol.Biol., 384, 2008
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7R6Z
| OXA-48 bound by Compound 3.3 | 分子名称: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | 登録日 | 2021-06-24 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 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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7S5S
| CTX-M-15 WT in complex with BLIP WT | 分子名称: | Beta-lactamase, Beta-lactamase inhibitory protein | 著者 | Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B. | 登録日 | 2021-09-11 | 公開日 | 2022-11-30 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes. Nat Commun, 13, 2022
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8DON
| Beta-lactamase CTX-M-14 T215A | 分子名称: | Beta-lactamase, PHOSPHATE ION | 著者 | Lu, S, Palzkill, T. | 登録日 | 2022-07-13 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8DOE
| Crystal Structure of CTX-M-14 N106A | 分子名称: | Beta-lactamase | 著者 | Lu, S, Palzkill, T. | 登録日 | 2022-07-12 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8DP4
| Beta-lactamase CTX-M-14 T235A | 分子名称: | Beta-lactamase | 著者 | Lu, S, Palzkill, T. | 登録日 | 2022-07-14 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | 主引用文献 | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8DOD
| Beta-lactamase CTX-M-14 S130A | 分子名称: | Beta-lactamase, POTASSIUM ION | 著者 | Lu, S, Palzkill, T. | 登録日 | 2022-07-12 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8DPQ
| Beta-lactamase CTX-M-14 N170A | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase | 著者 | Lu, S, Neetu, N, Palzkill, T. | 登録日 | 2022-07-15 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8ELA
| CTX-M-14 beta-lactamase mutant - N132A w MES | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, CHLORIDE ION, ... | 著者 | Lu, S, Palzkill, T, Hu, L, Prasad, B.V.V. | 登録日 | 2022-09-23 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8ELB
| CTX-M-14 beta-lactamase mutant- N132A | 分子名称: | Beta-lactamase, DI(HYDROXYETHYL)ETHER | 著者 | Lu, S, Neetu, N, Palzkill, T. | 登録日 | 2022-09-23 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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6XQR
| OXA-48 bound by Compound 2.2 | 分子名称: | Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | 登録日 | 2020-07-10 | 公開日 | 2021-12-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 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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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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8SQG
| OXA-48 bound to inhibitor CDD-2801 | 分子名称: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, 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 (2.03 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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8TJM
| Crystal structure of KPC-44 carbapenemase | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-23 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TMT
| Crystal structure of KPC-44 carbapenemase in complex with vaborbactam | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ... | 著者 | Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-30 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TN0
| Crystal structure of KPC-44 carbapenemase w/o cryoprotectant | 分子名称: | SULFATE ION, beta-lactamase | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-31 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TMR
| Crystal structure of KPC-44 carbapenemase complexed with avibactam | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-30 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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7UON
| CTX-M-14 Y105W mutant | 分子名称: | Beta-lactamase, PHOSPHATE ION | 著者 | Judge, A, Hu, L, Sankaran, B, Van Riper, J, Prasad, B.V.V, Palzkill, T. | 登録日 | 2022-04-13 | 公開日 | 2023-01-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M beta-lactamase. Commun Biol, 6, 2023
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6CYQ
| Crystal structure of CTX-M-14 S70G/N106S 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, GLYCEROL | 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 (1.698 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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