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PDB: 13 results

5LSC
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BU of 5lsc by Molmil
The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor
Descriptor: 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, ...
Authors:Christopeit, T, Yang, K.-W, Yang, S.-K, Leiros, H.-K.S.
Deposit date:2016-08-25
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5ACX
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VIM-2-2, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
Descriptor: 2-(4-fluorophenyl)carbonylbenzoic acid, BETA-LACTAMASE, CHLORIDE ION, ...
Authors:Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
Deposit date:2015-08-18
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
5ACV
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VIM-2-OX, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
Descriptor: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
Deposit date:2015-08-18
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
5ACU
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VIM-2-NAT, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
Descriptor: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
Deposit date:2015-08-18
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
5ACW
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VIM-2-1, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
Descriptor: 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, BETA-LACTAMASE, CHLORIDE ION, ...
Authors:Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
Deposit date:2015-08-18
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
6FAO
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BU of 6fao by Molmil
Discovery and characterization of a thermostable GH6 endoglucanase from a compost metagenome
Descriptor: 1,2-ETHANEDIOL, Glycoside hydrolase family 6, SULFATE ION
Authors:Jensen, M.S, Fredriksen, L, MacKenzie, A.K, Pope, P.B, Chylenski, P, Leiros, I, Williamson, A.K, Christopeit, T, Ostby, H, Vaaje-Kolstad, G, Eijsink, V.G.H.
Deposit date:2017-12-15
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery and characterization of a thermostable two-domain GH6 endoglucanase from a compost metagenome.
PLoS ONE, 13, 2018
5MMD
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BU of 5mmd by Molmil
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
6TMB
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BU of 6tmb by Molmil
VIM-2_1di-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
Descriptor: Beta-lactamase class B VIM-2, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Leiros, H.-K.S, Christopeit, T.
Deposit date:2019-12-04
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases.
Bioorg.Med.Chem., 28, 2020
6TMC
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BU of 6tmc by Molmil
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
5DVA
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BU of 5dva by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 1
Descriptor: 3-(pyridin-4-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Christopeit, T, Leiros, H.-K.S.
Deposit date:2015-09-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.50003886 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
5DTK
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BU of 5dtk by Molmil
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
5DTT
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BU of 5dtt by Molmil
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
5DTS
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BU of 5dts by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 2
Descriptor: 3-(pyridin-3-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
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 (1.94015872 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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數據於2024-10-30公開中

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