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 | 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
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5LSC
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![BU of 5lsc by Molmil](/molmil-images/mine/5lsc) | The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor | 分子名称: | 2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{H}-1,2,4-triazol-3-yl]benzoic acid, CHLORIDE ION, Metallo-beta-lactamase VIM-2-like protein, ... | 著者 | Christopeit, T, Yang, K.-W, Yang, S.-K, Leiros, H.-K.S. | 登録日 | 2016-08-25 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.497 Å) | 主引用文献 | The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor. Acta Crystallogr F Struct Biol Commun, 72, 2016
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2Y1X
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![BU of 2y1x by Molmil](/molmil-images/mine/2y1x) | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | 分子名称: | CHLORIDE ION, HISTONE-ARGININE METHYLTRANSFERASE CARM1, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ... | 著者 | Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A. | 登録日 | 2010-12-10 | 公開日 | 2011-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors Biochem.J., 436, 2011
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1Y6E
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![BU of 1y6e by Molmil](/molmil-images/mine/1y6e) | Orthorhombic glutathione S-transferase of Schistosoma japonicum | 分子名称: | glutathione S-transferase | 著者 | Rufer, A.C, Thiebach, L, Baer, K, Klein, H.W, Hennig, M. | 登録日 | 2004-12-06 | 公開日 | 2005-03-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | X-ray structure of glutathione S-transferase from Schistosoma japonicum in a new crystal form reveals flexibility of the substrate-binding site Acta Crystallogr.,Sect.F, 61, 2005
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2YNU
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![BU of 2ynu by Molmil](/molmil-images/mine/2ynu) | Apo GIM-1 with 2Mol. Crystal structures of Pseudomonas aeruginosa GIM-1: active site plasticity in metallo-beta-lactamases | 分子名称: | GIM-1 PROTEIN | 著者 | Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S. | 登録日 | 2012-10-18 | 公開日 | 2013-07-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases. Antimicrob.Agents Chemother., 57, 2013
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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 | 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
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7ASS
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![BU of 7ass by Molmil](/molmil-images/mine/7ass) | |
6GDR
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![BU of 6gdr by Molmil](/molmil-images/mine/6gdr) | DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | 著者 | Williamson, A, Grigic, M, Leiros, H.K.S. | 登録日 | 2018-04-24 | 公開日 | 2018-07-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | DNA binding with a minimal scaffold: structure-function analysis of Lig E DNA ligases. Nucleic Acids Res., 46, 2018
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2VND
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![BU of 2vnd by Molmil](/molmil-images/mine/2vnd) | The N69Q mutant of Vibrio cholerae endonuclease I | 分子名称: | CHLORIDE ION, ENDONUCLEASE I, MAGNESIUM ION | 著者 | Niiranen, L, Altermark, B, Brandsdal, B.O, Leiros, H.-K.S, Helland, R, Smalas, A.O, Willassen, N.P. | 登録日 | 2008-02-04 | 公開日 | 2008-02-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Effects of Salt on the Kinetics and Thermodynamic Stability of Endonuclease I from Vibrio Salmonicida and Vibrio Cholerae. FEBS J., 275, 2008
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2YNV
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![BU of 2ynv by Molmil](/molmil-images/mine/2ynv) | Cys221 oxidized, Mono zinc GIM-1 - GIM-1-Ox. Crystal structures of Pseudomonas aeruginosa GIM-1: active site plasticity in metallo-beta- lactamases | 分子名称: | GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION | 著者 | Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S. | 登録日 | 2012-10-18 | 公開日 | 2013-07-24 | 最終更新日 | 2018-06-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases. Antimicrob.Agents Chemother., 57, 2013
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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 | 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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5QAV
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![BU of 5qav by Molmil](/molmil-images/mine/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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5QAZ
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![BU of 5qaz by Molmil](/molmil-images/mine/5qaz) | OXA-48 IN COMPLEX WITH COMPOUND 34 | 分子名称: | 1,2-ETHANEDIOL, 3-(1~{H}-indol-5-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 (2.2 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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5OFT
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![BU of 5oft by Molmil](/molmil-images/mine/5oft) | |
5QAI
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![BU of 5qai by Molmil](/molmil-images/mine/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
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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 | 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
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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 | 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
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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 | 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
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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 | 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
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![BU of 5qam by Molmil](/molmil-images/mine/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
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![BU of 5qb3 by Molmil](/molmil-images/mine/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
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![BU of 5qaa by Molmil](/molmil-images/mine/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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5QA9
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![BU of 5qa9 by Molmil](/molmil-images/mine/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
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![BU of 5qal by Molmil](/molmil-images/mine/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
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![BU of 5qb4 by Molmil](/molmil-images/mine/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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