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6IBS
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BU of 6ibs by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6
Descriptor: CALCIUM ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-11-30
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6IBV
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BU of 6ibv by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-11-30
Release date:2019-05-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6TS9
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BU of 6ts9 by Molmil
Crystal structure of GES-5 carbapenemase
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ...
Authors:Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L.
Deposit date:2019-12-20
Release date:2020-03-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting the Class A Carbapenemase GES-5 via Virtual Screening.
Biomolecules, 10, 2020
6Q35
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BU of 6q35 by Molmil
Crystal structure of GES-5 beta-lactamase in complex with boronic inhibitor cpd 3
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6Q30
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BU of 6q30 by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 5
Descriptor: (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide, CALCIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6Q2Y
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BU of 6q2y by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6F2L
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BU of 6f2l by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days.
Descriptor: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, M.
Deposit date:2017-11-24
Release date:2018-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018

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