5MMD
 
 | | TMB-1. Structural insights into TMB-1 and the role of residue 119 and 228 in substrate and inhibitor binding | | 分子名称: | CHLORIDE ION, Metallo-beta-lactamase 1, ZINC ION | | 著者 | Skagseth, S, Christopeit, T, Akhter, S, Bayer, A, Samuelsen, O, Leiros, H.-K.S. | | 登録日 | 2016-12-09 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding.
Antimicrob. Agents Chemother., 61, 2017
|
|
5MM9
 | | VIM-2_2b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding | | 分子名称: | (2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol, MAGNESIUM ION, Metallo-beta-lactamase VIM-17, ... | | 著者 | Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, H.-K.S, Bayer, A. | | 登録日 | 2016-12-08 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Eur J Med Chem, 135, 2017
|
|
5NHZ
 | | VIM-2_10b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding | | 分子名称: | Beta-lactamase class B VIM-2, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, K.-K.S, Bayer, A. | | 登録日 | 2017-03-22 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Eur J Med Chem, 135, 2017
|
|
5NI0
 | | VIM-2_10c. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding | | 分子名称: | Beta-lactamase class B VIM-2, ZINC ION, [(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid | | 著者 | Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, H.-K.S, Bayer, A. | | 登録日 | 2017-03-22 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.673 Å) | | 主引用文献 | Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Eur J Med Chem, 135, 2017
|
|
6TMB
 | |
6TMA
 | |
6TM9
 | |
6TMC
 | | VIM-2_1dh-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases | | 分子名称: | 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole, Beta-lactamase class B VIM-2, HYDROXIDE ION, ... | | 著者 | Leiros, H.-K.S, Christopeit, T. | | 登録日 | 2019-12-04 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases.
Bioorg.Med.Chem., 28, 2020
|
|
5DVA
 | |
5DTT
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 3 | | 分子名称: | 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ... | | 著者 | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | 登録日 | 2015-09-18 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.10000539 Å) | | 主引用文献 | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
|
|
5DTS
 | |
5DTK
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 17 | | 分子名称: | 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ... | | 著者 | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | 登録日 | 2015-09-18 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.60000241 Å) | | 主引用文献 | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
|
|
5QAG
 | | OXA-48 IN COMPLEX WITH COMPOUND 9a | | 分子名称: | 1,2-ETHANEDIOL, 3-(2-methoxycarbonylphenyl)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 (2.3 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
|
|
5QAW
 | | OXA-48 IN COMPLEX WITH COMPOUND 27 | | 分子名称: | 3-naphthalen-2-ylbenzoic acid, Beta-lactamase, CHLORIDE ION | | 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 (2.2 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
|
|
5QAI
 | | OXA-48 IN COMPLEX WITH COMPOUND 12a | | 分子名称: | 1,2-ETHANEDIOL, 3-(3-methylsulfonylphenyl)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
|
|
5QAX
 | | OXA-48 IN COMPLEX WITH COMPOUND 28 | | 分子名称: | 1,2-ETHANEDIOL, 3-quinolin-6-ylbenzoic 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 (2.31 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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
