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6D1K
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Crystal structure of NDM-1 complexed with compound 14
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6DD0
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Crystal structure of VIM-2 complexed with compound 8
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-05-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6DD1
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BU of 6dd1 by Molmil
Crystal structure of VIM-2 complexed with compound 14
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-05-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6DJA
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ZN-DEPENDENT 5/B/6 METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
Descriptor: Metallo-beta-lactamase type 2, ZINC ION
Authors:Bui, A.A, Khan, N.H, Shaw, R.W, Sutton, R.B.
Deposit date:2018-05-24
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases.
Plos One, 14, 2019
6EFJ
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BU of 6efj by Molmil
Crystal structure of NDM-1 with compound 9
Descriptor: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-08-16
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6EUM
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BU of 6eum by Molmil
CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307
Descriptor: (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J.
Deposit date:2017-10-30
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EW3
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Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EWE
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Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308
Descriptor: (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EX7
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Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ...
Authors:Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A.
Deposit date:2017-11-07
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
6F2N
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BU of 6f2n by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197
Descriptor: (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6HF5
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Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor
Descriptor: 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
Authors:Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
Deposit date:2018-08-21
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
6I1D
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BU of 6i1d by Molmil
Structure of the Ysh1-Mpe1 nuclease complex from S.cerevisiae
Descriptor: Endoribonuclease YSH1, GLYCEROL, Protein MPE1, ...
Authors:Hill, C.H, Boreikaite, V, Kumar, A, Casanal, A, Kubik, P, Degliesposti, G, Maslen, S, Mariani, A, von Loeffelholz, O, Girbig, M, Skehel, M, Passmore, L.A.
Deposit date:2018-10-28
Release date:2019-02-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Activation of the Endonuclease that Defines mRNA 3' Ends Requires Incorporation into an 8-Subunit Core Cleavage and Polyadenylation Factor Complex.
Mol.Cell, 73, 2019
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
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-01-21
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.575 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JED
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BU of 6jed by Molmil
Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFANYLACETIC ACID, ...
Authors:Wachino, J.
Deposit date:2019-02-05
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
6JKA
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BU of 6jka by Molmil
Crystal structure of metallo-beta-lactamse, IMP-1, in complex with a thiazole-bearing inhibitor
Descriptor: 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid, 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one, Metallo-beta-lactamase type 2, ...
Authors:Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T.
Deposit date:2019-02-28
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes.
Chem Pharm Bull (Tokyo), 69, 2021
6JKB
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BU of 6jkb by Molmil
Crystal structure of metallo-beta-lactamse, NDM-1, in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
Authors:Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T.
Deposit date:2019-02-28
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes.
Chem Pharm Bull (Tokyo), 69, 2021
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JV4
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BU of 6jv4 by Molmil
Crystal structure of metallo-beta-lactamase VMB-1
Descriptor: CITRIC ACID, VMB-1, ZINC ION
Authors:Cheng, Q, Chen, S.
Deposit date:2019-04-15
Release date:2019-11-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp.
Adv Biosyst, 4, 2020
6K4T
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BU of 6k4t by Molmil
Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-sulfanylbenzoic acid, Metallo-beta-lactamase, ...
Authors:Wachino, J.
Deposit date:2019-05-27
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
6K4X
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BU of 6k4x by Molmil
Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-azanyl-2-sulfanyl-benzoic acid, Metallo-beta-lactamase, ...
Authors:Wachino, J.
Deposit date:2019-05-27
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
6K6S
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Structure of RNase J1 from Staphylococcus epidermidis
Descriptor: MANGANESE (II) ION, Ribonuclease J 1
Authors:Raj, R, Gopal, B.
Deposit date:2019-06-04
Release date:2020-10-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Structure of RNase J1 from Staphylococcus epidermidis
J.Biol.Chem., 2020
6K6W
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BU of 6k6w by Molmil
Structure of RNase J2 from Staphylococcus epidermidis
Descriptor: MANGANESE (II) ION, Ribonuclease J 2
Authors:Raj, R, Gopal, B.
Deposit date:2019-06-05
Release date:2020-10-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of RNase J1 from Staphylococcus epidermidis
J.Biol.Chem., 2020
6KNS
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Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group I4122)
Descriptor: CALCIUM ION, Putative metal-dependent hydrolase, ZINC ION
Authors:Na, H.W, Namgung, B, Song, W.S, Yoon, S.I.
Deposit date:2019-08-07
Release date:2019-09-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and biochemical analyses of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis.
Biochem.Biophys.Res.Commun., 519, 2019

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