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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4CHL
| Human Ethylmalonic Encephalopathy Protein 1 (hETHE1) | Descriptor: | FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL | Authors: | Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-12-03 | Release date: | 2014-12-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy. Hum. Mol. Genet., 24, 2015
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6DD1
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4D1V
| A F218Y mutant of VIM-7 from Pseudomonas aeruginosa | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | Deposit date: | 2014-05-05 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7. Antimicrob.Agents Chemother., 58, 2014
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4D1W
| A H224Y mutant for VIM-7 from Pseudomonas aeruginosa | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | Deposit date: | 2014-05-05 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7. Antimicrob.Agents Chemother., 58, 2014
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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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4D1T
| High resolution structure of native tVIM-7 from Pseudomonas aeruginosa | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | Deposit date: | 2014-05-05 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7. Antimicrob.Agents Chemother., 58, 2014
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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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4EFZ
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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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4EYB
| Crystal structure of NDM-1 bound to hydrolyzed oxacillin | Descriptor: | (2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid, Beta-lactamase NDM-1, ZINC ION | Authors: | Strynadka, N.C.J, King, D.T. | Deposit date: | 2012-05-01 | Release date: | 2012-08-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition J.Am.Chem.Soc., 134, 2012
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4EY2
| Crystal structure of NDM-1 bound to hydrolyzed methicillin | Descriptor: | (2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION | Authors: | Strynadka, N.C.J, King, D.T. | Deposit date: | 2012-05-01 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition J.Am.Chem.Soc., 134, 2012
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4EYF
| Crystal structure of NDM-1 bound to hydrolyzed benzylpenicillin | Descriptor: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION | Authors: | Strynadka, N.C.J, King, D.T. | Deposit date: | 2012-05-01 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition J.Am.Chem.Soc., 134, 2012
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6EUM
| 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
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6EW3
| 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
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6EWE
| 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
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4EXY
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4EXS
| Crystal structure of NDM-1 bound to L-captopril | Descriptor: | Beta-lactamase NDM-1, L-CAPTOPRIL, ZINC ION | Authors: | Strynadka, N.C.J, King, D.T. | Deposit date: | 2012-04-30 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition J.Am.Chem.Soc., 134, 2012
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4F6H
| Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site | Descriptor: | Beta-lactamase, PHOSPHATE ION, SULFATE ION, ... | Authors: | Horton, L.B, Shanker, S, Sankaran, B, Mikulski, R, Brown, N.G, Phillips, K, Lykissa, E, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2012-05-14 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-beta-lactamase active site Antimicrob.Agents Chemother., 56, 2012
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4EYL
| Crystal structure of NDM-1 bound to hydrolyzed meropenem | Descriptor: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro le-5-carboxylic acid, Beta-lactamase NDM-1, ZINC ION | Authors: | Strynadka, N.C.J, King, D.T. | Deposit date: | 2012-05-01 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition J.Am.Chem.Soc., 134, 2012
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4F6Z
| Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site | Descriptor: | Beta-lactamase, CITRATE ANION, ZINC ION | Authors: | Horton, L.B, Shanker, S, Sankaran, B, Mikulski, R, Brown, N.G, Phillips, K, Lykissa, E, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2012-05-15 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-beta-lactamase active site Antimicrob.Agents Chemother., 56, 2012
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4FR7
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4FSB
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