6D1A
 
 | | Crystal structure of NDM-1 complexed with compound 1 | | 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 (1.25 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6DD1
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6DD0
 | | 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
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6DJA
 | | 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
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6EFJ
 | | 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
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6F2N
 | | 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
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6EX7
 | | 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
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4YSB
 | | Crystal structure of ETHE1 from Myxococcus xanthus | | Descriptor: | FE (III) ION, Metallo-beta-lactamase family protein | | Authors: | Sattler, S.A, Wang, X, DeHan, P.J, Xun, L, Kang, C. | | Deposit date: | 2015-03-17 | | Release date: | 2015-06-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5015 Å) | | Cite: | Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-beta-lactamase Superfamily.
J.Biol.Chem., 290, 2015
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4YSK
 | | Crystal structure of apo-form SdoA from Pseudomonas putida | | Descriptor: | Beta-lactamase domain protein, FE (III) ION | | Authors: | Sattler, S.A, Wang, X, DeHan, P.J, Xun, L, Kang, C. | | Deposit date: | 2015-03-17 | | Release date: | 2015-06-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.466 Å) | | Cite: | Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-beta-lactamase Superfamily.
J.Biol.Chem., 290, 2015
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4YSL
 | | Crystal structure of SdoA from Pseudomonas putida in complex with glutathione | | Descriptor: | Beta-lactamase domain protein, FE (III) ION, GLUTATHIONE | | Authors: | Sattler, S.A, Wang, X, DeHan, P.J, Xun, L, Kang, C. | | Deposit date: | 2015-03-17 | | Release date: | 2015-06-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4618 Å) | | Cite: | Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-beta-lactamase Superfamily.
J.Biol.Chem., 290, 2015
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4ZEJ
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4ZO3
 | | AidC, a Dizinc Quorum-Quenching Lactonase, in complex with a product N-hexnoyl-L-homoserine | | Descriptor: | Acylhomoserine lactonase, N-hexanoyl-L-homoserine, ZINC ION | | Authors: | Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D. | | Deposit date: | 2015-05-05 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
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4ZO2
 | | AidC, a Dizinc Quorum-Quenching Lactonase | | Descriptor: | Acylhomoserine lactonase, ZINC ION | | Authors: | Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D. | | Deposit date: | 2015-05-05 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
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5ACX
 | | 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
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5ACS
 | | Y233A-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | GIM-1 PROTEIN, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.459 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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5ACW
 | | 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
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5ACT
 | | W228S-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | GIM-1 PROTEIN, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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5ACQ
 | | W228A-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | BETA-LACTAMASE, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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5ACP
 | | W228R-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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5ACV
 | | 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
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5A5Z
 | | Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria | | Descriptor: | BETA-LACTAMASE NDM-1, TIOPRONIN, ZINC ION | | Authors: | Klingler, F.M, Wichelhaus, T.A, Frank, D, Cuesta-Bernal, J, El-Delik, J, Mueller, H.F, Sjuts, H, Goettig, S, Koenigs, A, Pogoryelov, D, Proschak, E. | | Deposit date: | 2015-06-23 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.
J. Med. Chem., 58, 2015
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5A87
 | | Crystal structure of the metallo-beta-lactamase VIM-5 | | Descriptor: | GLYCEROL, METALLO-BETA-LACTAMASE VIM-5, ZINC ION | | Authors: | Brem, J, Duzgun, A.O, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2015-07-13 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Comparison of Verona Integron-Borne Metallo-beta-Lactamase (VIM) Variants Reveals Differences in Stability and Inhibition Profiles.
Antimicrob. Agents Chemother., 60, 2015
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5ACR
 | | W228Y-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | CALCIUM ION, GIM-1 PROTEIN, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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5ACU
 | | 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
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5AEB
 | | Crystal structure of the class B3 di-zinc metallo-beta-lactamase LRA- 12 from an Alaskan soil metagenome. | | Descriptor: | COBALT (II) ION, LRA-12, SULFATE ION, ... | | Authors: | Power, P, Herman, R, Kerff, F, Bouillenne, F, Rodriguez, M.M, Galleni, M, Handelsman, J, Gutkind, G, Charlier, P, Sauvage, E. | | Deposit date: | 2015-08-27 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure and kinetic analysis of the class B3 di-zinc metallo-beta-lactamase LRA-12 from an Alaskan soil metagenome.
PLoS ONE, 12, 2017
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