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7PP0
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BU of 7pp0 by Molmil
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038)
Descriptor: 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S.
Deposit date:2021-09-10
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors.
Chemmedchem, 17, 2022
8A4M
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BU of 8a4m by Molmil
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061)
Descriptor: (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S.
Deposit date:2022-06-13
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
8A76
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BU of 8a76 by Molmil
Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26
Descriptor: (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Vascon, F, Legru, A, Hernandez, J.F, Cendron, L.
Deposit date:2022-06-20
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
7QH1
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BU of 7qh1 by Molmil
Discovery and development of a novel inhaled antivirulence therapy for the treatment of Pseudomonas aeruginosa infections in patients with chronic respiratory disease
Descriptor: 2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid, CALCIUM ION, Keratinase KP2, ...
Authors:Leonard, P.M, Davies, D, Pallin, T.D.
Deposit date:2021-12-10
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Chemical Optimization of Selective Pseudomonas aeruginosa LasB Elastase Inhibitors and Their Impact on LasB-Mediated Activation of IL-1 beta in Cellular and Animal Infection Models.
Acs Infect Dis., 9, 2023

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PDB entries from 2024-08-28

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