8HXP
 
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(but-3-en-1-yl)thiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXV
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-hexylthiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HY1
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(thiophen-2-ylmethyl)thiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.937 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXO
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-isobutylthiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ... | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXN
 | | Crystal structure of B2 Sfh-I MBL in complex with 2-amino-5-(4-(but-3-en-1-yloxy)benzyl)thiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ETHANOL, ... | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HY2
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXW
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-heptylthiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8I52
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8HYB
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8I8F
 | | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION | | Authors: | Shi, X, Liu, W. | | Deposit date: | 2023-02-04 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
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8JAO
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8PJM
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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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3RKJ
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pnueumoniae | | Descriptor: | Beta-lactamase NDM-1, GLYCEROL, SULFATE ION | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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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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4EXY
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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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3RKK
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pneumoniae | | Descriptor: | ACETIC ACID, Beta-lactamase NDM-1, GLYCEROL, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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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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3S0Z
 | | Crystal structure of New Delhi Metallo-beta-lactamase (NDM-1) | | Descriptor: | Metallo-beta-lactamase, ZINC ION | | Authors: | Guo, Y, Wang, J, Niu, G.J, Shui, W.Q, Sun, Y.N, Lou, Z.Y, Rao, Z.H. | | Deposit date: | 2011-05-13 | | Release date: | 2011-06-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structural view of the antibiotic degradation enzyme NDM-1 from a superbug.
Protein Cell, 2011
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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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3H3E
 | | Crystal structure of Tm1679, A METAL-DEPENDENT HYDROLASE OF THE BETA-LACTAMASE SUPERFAMILY | | Descriptor: | ZINC ION, uncharacterized protein Tm1679 | | Authors: | Cooper, D.R, Olekhnovitch, N, Derewenda, U, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2009-04-16 | | Release date: | 2009-07-14 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.749 Å) | | Cite: | Crystal structure of Tm1679, A METAL-DEPENDENT HYDROLASE OF THE BETA-LACTAMASE SUPERFAMILY
To be Published
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3SBL
 | | Crystal Structure of New Delhi Metal-beta-lactamase-1 from Klebsiella pneumoniae | | Descriptor: | Beta-lactamase NDM-1, CITRIC ACID | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-06-05 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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