PDB: 619 resultsInfo pagesStatus searchChemie searchBIRD

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5YPI	Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI1 complex Descriptor: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... Authors: Feng, H, Wang, D, Liu, W. Deposit date: 2017-11-01 Release date: 2018-02-21 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
5Y6D	VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11) Descriptor: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... Authors: Li, G.-B. Deposit date: 2017-08-11 Release date: 2018-01-24 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.1 Å) Cite: ((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies. Eur J Med Chem, 145, 2018
5YPK	Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI2 complex Descriptor: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ... Authors: Feng, H, Wang, D, Liu, W. Deposit date: 2017-11-02 Release date: 2018-02-21 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
2UYX	metallo-beta-lactamase (1BC2) single point mutant D120S Descriptor: BETA-LACTAMASE II, GLYCEROL, ZINC ION Authors: Larrull, L.I, Fabiane, S.M, Kowalski, J.M, Bennett, B, Sutton, B.J, Vila, A.J. Deposit date: 2007-04-20 Release date: 2007-05-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Asp-120 locates Zn2 for optimal metallo-beta-lactamase activity. J. Biol. Chem., 282, 2007
2VW8	Crystal Structure of Quinolone signal response protein pqsE from Pseudomonas aeruginosa Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, FE (II) ION, ... Authors: Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Oke, M, Naismith, J.H, White, M.F. Deposit date: 2008-06-17 Release date: 2010-07-14 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (1.45 Å) Cite: The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
5DPX	1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases. Descriptor: 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ... Authors: Nauton, L, Garau, G, Khan, R, Dideberg, O. Deposit date: 2015-09-14 Release date: 2017-01-11 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: 1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases. ChemMedChem, 12, 2017
5EHT	Indirect contributions of mutations underlie optimization of new enzyme function Descriptor: GLYCEROL, N-acyl homoserine lactonase, ZINC ION Authors: Jackson, C.J, Hong, N.-S. Deposit date: 2015-10-28 Release date: 2016-09-07 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects. Biochemistry, 55, 2016
5EH9	Indirect contributions of mutations underlie optimization of new enzyme function Descriptor: 2-HYDROXYETHYL DISULFIDE, GLYCEROL, N-acyl homoserine lactonase AiiA, ... Authors: Hong, N.-S, Jackson, C.J, Tokuriki, N, Yang, G, Baier, F. Deposit date: 2015-10-28 Release date: 2016-09-07 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects. Biochemistry, 55, 2016
5EV6	Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase IMP-1, ... Authors: Spencer, J, Hinchliffe, P. Deposit date: 2015-11-19 Release date: 2016-06-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.984 Å) Cite: Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
5EVK	Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319 Descriptor: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... Authors: Hinchliffe, P, Spencer, J. Deposit date: 2015-11-19 Release date: 2016-06-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.627 Å) Cite: Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
5EWA	Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 Descriptor: (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... Authors: Kosmopoulou, M, Hinchliffe, P, Spencer, J. Deposit date: 2015-11-20 Release date: 2016-06-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
5EVB	Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-CS319 Descriptor: (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... Authors: Hinchliffe, P, Spencer, J. Deposit date: 2015-11-19 Release date: 2016-06-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.841 Å) Cite: Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
5EW0	Crystal structure of the metallo-beta-lactamase Sfh-I in complex with the bisthiazolidine inhibitor L-CS319 Descriptor: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase, ZINC ION Authors: Hinchliffe, P, Tooke, C.L, Spencer, J. Deposit date: 2015-11-20 Release date: 2016-06-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
5EVD	Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-VC26 Descriptor: (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... Authors: Hinchliffe, P, Spencer, J. Deposit date: 2015-11-19 Release date: 2016-06-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
5EV8	Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319 Descriptor: (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... Authors: Hinchliffe, P, Spencer, J. Deposit date: 2015-11-19 Release date: 2016-06-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
5FQB	Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C Descriptor: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE 2, GLYCEROL, ... Authors: Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. Deposit date: 2015-12-08 Release date: 2016-08-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.899 Å) Cite: Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
5FQC	Crystal structure of the metallo-beta-lactamase VIM-2 with 2C Descriptor: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE, DIMETHYL SULFOXIDE, ... Authors: Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. Deposit date: 2015-12-08 Release date: 2016-08-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.449 Å) Cite: Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
5FQA	Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II Descriptor: 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ... Authors: Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. Deposit date: 2015-12-08 Release date: 2016-08-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Use of ferrous iron by metallo-beta-lactamases. J. Inorg. Biochem., 163, 2016
5HH4	Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor Descriptor: 1,2-ETHANEDIOL, 6-(phosphonomethyl)pyridine-2-carboxylic acid, Beta-lactamase IMP-1, ... Authors: Hinchliffe, P, Spencer, J. Deposit date: 2016-01-09 Release date: 2017-01-18 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates. Biochemistry, 57, 2018
5HIO	Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate Descriptor: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE Authors: Witzgall, F, Blankenfeldt, W. Deposit date: 2016-01-12 Release date: 2016-04-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds. Acs Chem.Biol., 11, 2016
5HH6	Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor Descriptor: 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... Authors: Hinchliffe, P, Spencer, J. Deposit date: 2016-01-09 Release date: 2017-01-18 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates. Biochemistry, 57, 2018
5HIP	Crystal Structure of PQS Response Protein PqsE in Complex with 2-(pyridin-3-yl)benzoic acid Descriptor: 2-(pyridin-3-yl)benzoic acid, FE (III) ION, PqsE Authors: Witzgall, F, Blankenfeldt, W. Deposit date: 2016-01-12 Release date: 2016-04-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.992 Å) Cite: Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds. Acs Chem.Biol., 11, 2016
3SD9	Crystal structure of serratia fonticola SFH-I: Source of the nucleophile in the catalytic mechanism of mono-zinc metallo-beta-lactamases Descriptor: Beta-lactamase, ZINC ION Authors: Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J. Deposit date: 2011-06-08 Release date: 2011-07-13 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Crystal Structure of Serratia fonticola Sfh-I: Activation of the Nucleophile in Mono-Zinc Metallo-beta-Lactamases To be Published, 2011
3SFP	Crystal Structure of the Mono-Zinc-boundform of New Delhi Metallo-beta-Lactamase-1 from Klebsiella pneumoniae Descriptor: Beta-lactamase NDM-1, CHLORIDE ION, CITRIC ACID, ... Authors: Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) Deposit date: 2011-06-13 Release date: 2011-06-29 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase Plos One, 6, 2011
3SPU	apo NDM-1 Crystal Structure Descriptor: Beta-lactamase NDM-1, ZINC ION Authors: Strynadka, N.C.J, King, D.T. Deposit date: 2011-07-03 Release date: 2011-08-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure of New Delhi metallo-beta-lactamase reveals molecular basis for antibiotic resistance Protein Sci., 20, 2011

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