5MMD
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![BU of 5mmd by Molmil](/molmil-images/mine/5mmd) | TMB-1. Structural insights into TMB-1 and the role of residue 119 and 228 in substrate and inhibitor binding | Descriptor: | CHLORIDE ION, Metallo-beta-lactamase 1, ZINC ION | Authors: | Skagseth, S, Christopeit, T, Akhter, S, Bayer, A, Samuelsen, O, Leiros, H.-K.S. | Deposit date: | 2016-12-09 | Release date: | 2017-03-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding. Antimicrob. Agents Chemother., 61, 2017
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5MM9
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![BU of 5mm9 by Molmil](/molmil-images/mine/5mm9) | VIM-2_2b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding | Descriptor: | (2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol, MAGNESIUM ION, Metallo-beta-lactamase VIM-17, ... | Authors: | Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, H.-K.S, Bayer, A. | Deposit date: | 2016-12-08 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding. Eur J Med Chem, 135, 2017
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5NI0
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![BU of 5ni0 by Molmil](/molmil-images/mine/5ni0) | VIM-2_10c. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding | Descriptor: | Beta-lactamase class B VIM-2, ZINC ION, [(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid | Authors: | Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, H.-K.S, Bayer, A. | Deposit date: | 2017-03-22 | Release date: | 2017-04-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.673 Å) | Cite: | Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding. Eur J Med Chem, 135, 2017
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5NHZ
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![BU of 5nhz by Molmil](/molmil-images/mine/5nhz) | VIM-2_10b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding | Descriptor: | Beta-lactamase class B VIM-2, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, K.-K.S, Bayer, A. | Deposit date: | 2017-03-22 | Release date: | 2017-04-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding. Eur J Med Chem, 135, 2017
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6TMB
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![BU of 6tmb by Molmil](/molmil-images/mine/6tmb) | |
6TM9
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![BU of 6tm9 by Molmil](/molmil-images/mine/6tm9) | |
6TMC
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![BU of 6tmc by Molmil](/molmil-images/mine/6tmc) | VIM-2_1dh-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases | Descriptor: | 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole, Beta-lactamase class B VIM-2, HYDROXIDE ION, ... | Authors: | Leiros, H.-K.S, Christopeit, T. | Deposit date: | 2019-12-04 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases. Bioorg.Med.Chem., 28, 2020
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6TMA
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![BU of 6tma by Molmil](/molmil-images/mine/6tma) | |
5DVA
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![BU of 5dva by Molmil](/molmil-images/mine/5dva) | |
5DTK
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![BU of 5dtk by Molmil](/molmil-images/mine/5dtk) | Fragments bound to the OXA-48 beta-lactamase: Compound 17 | Descriptor: | 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | Deposit date: | 2015-09-18 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.60000241 Å) | Cite: | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. J.Med.Chem., 59, 2016
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5DTT
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![BU of 5dtt by Molmil](/molmil-images/mine/5dtt) | Fragments bound to the OXA-48 beta-lactamase: Compound 3 | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | Deposit date: | 2015-09-18 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.10000539 Å) | Cite: | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. J.Med.Chem., 59, 2016
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5DTS
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![BU of 5dts by Molmil](/molmil-images/mine/5dts) | |
5QAI
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![BU of 5qai by Molmil](/molmil-images/mine/5qai) | OXA-48 IN COMPLEX WITH COMPOUND 12a | Descriptor: | 1,2-ETHANEDIOL, 3-(3-methylsulfonylphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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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5QAX
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![BU of 5qax by Molmil](/molmil-images/mine/5qax) | OXA-48 IN COMPLEX WITH COMPOUND 28 | Descriptor: | 1,2-ETHANEDIOL, 3-quinolin-6-ylbenzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 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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5QAG
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![BU of 5qag by Molmil](/molmil-images/mine/5qag) | OXA-48 IN COMPLEX WITH COMPOUND 9a | Descriptor: | 1,2-ETHANEDIOL, 3-(2-methoxycarbonylphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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5QAW
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![BU of 5qaw by Molmil](/molmil-images/mine/5qaw) | OXA-48 IN COMPLEX WITH COMPOUND 27 | Descriptor: | 3-naphthalen-2-ylbenzoic acid, Beta-lactamase, CHLORIDE ION | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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5QAC
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![BU of 5qac by Molmil](/molmil-images/mine/5qac) | OXA-48 IN COMPLEX WITH COMPOUND 6c | Descriptor: | 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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![BU of 5qam by Molmil](/molmil-images/mine/5qam) | OXA-48 IN COMPLEX WITH COMPOUND 17 | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(methylsulfonylamino)phenyl]benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | 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
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![BU of 5qb3 by Molmil](/molmil-images/mine/5qb3) | OXA-48 IN COMPLEX WITH COMPOUND 40 | Descriptor: | 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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![BU of 5qaa by Molmil](/molmil-images/mine/5qaa) | OXA-48 IN COMPLEX WITH COMPOUND 6a | Descriptor: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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
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![BU of 5qau by Molmil](/molmil-images/mine/5qau) | OXA-48 IN COMPLEX WITH COMPOUND 26a | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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
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![BU of 5qa9 by Molmil](/molmil-images/mine/5qa9) | OXA-48 IN COMPLEX WITH COMPOUND 5 | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(hydroxymethyl)phenyl]benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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![BU of 5qal by Molmil](/molmil-images/mine/5qal) | OXA-48 IN COMPLEX WITH COMPOUND 11b | Descriptor: | 1,2-ETHANEDIOL, 3-(4-aminocarbonylphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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
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![BU of 5qb4 by Molmil](/molmil-images/mine/5qb4) | OXA-48 IN COMPLEX WITH SUBSTRATE IMIPENEM | Descriptor: | (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, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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
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![BU of 5qa5 by Molmil](/molmil-images/mine/5qa5) | OXA-48 IN COMPLEX WITH COMPOUND 3b | Descriptor: | 1,2-ETHANEDIOL, 3-(3-methylphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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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