5QAC
| OXA-48 IN COMPLEX WITH COMPOUND 6c | 分子名称: | 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAM
| OXA-48 IN COMPLEX WITH COMPOUND 17 | 分子名称: | 1,2-ETHANEDIOL, 3-[4-(methylsulfonylamino)phenyl]benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QB3
| OXA-48 IN COMPLEX WITH COMPOUND 40 | 分子名称: | 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAA
| OXA-48 IN COMPLEX WITH COMPOUND 6a | 分子名称: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAU
| OXA-48 IN COMPLEX WITH COMPOUND 26a | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QA9
| OXA-48 IN COMPLEX WITH COMPOUND 5 | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(hydroxymethyl)phenyl]benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAL
| OXA-48 IN COMPLEX WITH COMPOUND 11b | 分子名称: | 1,2-ETHANEDIOL, 3-(4-aminocarbonylphenyl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QB4
| OXA-48 IN COMPLEX WITH SUBSTRATE 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, 1,2-ETHANEDIOL, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QA5
| OXA-48 IN COMPLEX WITH COMPOUND 3b | 分子名称: | 1,2-ETHANEDIOL, 3-(3-methylphenyl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAQ
| OXA-48 IN COMPLEX WITH COMPOUND 21b | 分子名称: | 1,2-ETHANEDIOL, 3-(4-acetamidophenyl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAE
| OXA-48 IN COMPLEX WITH COMPOUND 8b | 分子名称: | 1,2-ETHANEDIOL, 3-(3-fluorophenyl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAV
| OXA-48 IN COMPLEX WITH COMPOUND 26b | 分子名称: | 1,2-ETHANEDIOL, 3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5WI7
| Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to doripenem | 分子名称: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, OXA-239 | 著者 | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | 登録日 | 2017-07-18 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.861 Å) | 主引用文献 | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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5WI3
| Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to cefotaxime | 分子名称: | CEFOTAXIME, C3' cleaved, open, ... | 著者 | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | 登録日 | 2017-07-18 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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5WIB
| Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to imipenem | 分子名称: | Imipenem, OXA-239 | 著者 | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | 登録日 | 2017-07-19 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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5OIZ
| Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with oxacillin | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Penicillin-binding protein 2X | 著者 | Bernardo-Garcia, N, Hermoso, J.A. | 登録日 | 2017-07-20 | 公開日 | 2018-05-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae. ACS Chem. Biol., 13, 2018
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5OJ0
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5OJ1
| Penicillin Binding Protein 2x (PBP2x) from S.pneumoniae in complex with Oxacillin and a tetrasaccharide | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Penicillin-binding protein 2X, SODIUM ION | 著者 | Bernardo-Garcia, N, Hermoso, J.A. | 登録日 | 2017-07-20 | 公開日 | 2018-05-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae. ACS Chem. Biol., 13, 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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6BSR
| Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the benzylpenicillin bound form. | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Moon, T.M, D'Andrea, E.D, Peti, W, Page, R. | 登録日 | 2017-12-04 | 公開日 | 2018-10-31 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
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6BSQ
| Enterococcus faecalis Penicillin Binding Protein 4 (PBP4) | 分子名称: | CHLORIDE ION, GLYCEROL, PBP4 protein | 著者 | Moon, T.M, D'Andrea, E.D, Peti, W, Page, R. | 登録日 | 2017-12-04 | 公開日 | 2018-10-31 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
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6C7A
| Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | 分子名称: | Beta-lactamase Toho-1, SULFATE ION | 著者 | Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. | 登録日 | 2018-01-22 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis Acs Catalysis, 8, 2018
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6C78
| Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis | 分子名称: | Beta-lactamase Toho-1 | 著者 | Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L. | 登録日 | 2018-01-22 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | NEUTRON DIFFRACTION (1.75 Å) | 主引用文献 | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis Acs Catalysis, 8, 2018
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6C79
| Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | 分子名称: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION | 著者 | Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. | 登録日 | 2018-01-22 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis Acs Catalysis, 8, 2018
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6C84
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