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126 related items for PubMed ID: 12395427

  • 1. Molecular dynamics simulations of the dinuclear zinc-beta-lactamase from Bacteroides fragilis complexed with imipenem.
    Suárez D, Díaz N, Merz KM.
    J Comput Chem; 2002 Dec; 23(16):1587-600. PubMed ID: 12395427
    [Abstract] [Full Text] [Related]

  • 2. Hybrid QM/MM and DFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilis.
    Park H, Brothers EN, Merz KM.
    J Am Chem Soc; 2005 Mar 30; 127(12):4232-41. PubMed ID: 15783205
    [Abstract] [Full Text] [Related]

  • 3. Structural consequences of the active site substitution Cys181 ==> Ser in metallo-beta-lactamase from Bacteroides fragilis.
    Li Z, Rasmussen BA, Herzberg O.
    Protein Sci; 1999 Jan 30; 8(1):249-52. PubMed ID: 10210203
    [Abstract] [Full Text] [Related]

  • 4. Crystal structures of the cadmium- and mercury-substituted metallo-beta-lactamase from Bacteroides fragilis.
    Concha NO, Rasmussen BA, Bush K, Herzberg O.
    Protein Sci; 1997 Dec 30; 6(12):2671-6. PubMed ID: 9416622
    [Abstract] [Full Text] [Related]

  • 5. Crystal structure of the zinc-dependent beta-lactamase from Bacillus cereus at 1.9 A resolution: binuclear active site with features of a mononuclear enzyme.
    Fabiane SM, Sohi MK, Wan T, Payne DJ, Bateson JH, Mitchell T, Sutton BJ.
    Biochemistry; 1998 Sep 08; 37(36):12404-11. PubMed ID: 9730812
    [Abstract] [Full Text] [Related]

  • 6. Binding of D- and L-captopril inhibitors to metallo-beta-lactamase studied by polarizable molecular mechanics and quantum mechanics.
    Antony J, Gresh N, Olsen L, Hemmingsen L, Schofield CJ, Bauer R.
    J Comput Chem; 2002 Oct 08; 23(13):1281-96. PubMed ID: 12210153
    [Abstract] [Full Text] [Related]

  • 7. Molecular dynamics simulations of class C beta-lactamase from Citrobacter freundii: insights into the base catalyst for acylation.
    Díaz N, Suárez D, Sordo TL.
    Biochemistry; 2006 Jan 17; 45(2):439-51. PubMed ID: 16401074
    [Abstract] [Full Text] [Related]

  • 8. Force field design and molecular dynamics simulations of the carbapenem- and cephamycin-resistant dinuclear zinc metallo-beta-lactamase from Bacteroides fragilis and its complex with a biphenyl tetrazole inhibitor.
    Park H, Merz KM.
    J Med Chem; 2005 Mar 10; 48(5):1630-7. PubMed ID: 15743204
    [Abstract] [Full Text] [Related]

  • 9. Insights into the structure and dynamics of the dinuclear zinc beta-lactamase site from Bacteroides fragilis.
    Suárez D, Brothers EN, Merz KM.
    Biochemistry; 2002 May 28; 41(21):6615-30. PubMed ID: 12022865
    [Abstract] [Full Text] [Related]

  • 10. The reaction mechanism of paraoxon hydrolysis by phosphotriesterase from combined QM/MM simulations.
    Wong KY, Gao J.
    Biochemistry; 2007 Nov 20; 46(46):13352-69. PubMed ID: 17966992
    [Abstract] [Full Text] [Related]

  • 11. Antibiotic deactivation by a dizinc beta-lactamase: mechanistic insights from QM/MM and DFT studies.
    Xu D, Guo H, Cui Q.
    J Am Chem Soc; 2007 Sep 05; 129(35):10814-22. PubMed ID: 17691780
    [Abstract] [Full Text] [Related]

  • 12. Substrate binding to mononuclear metallo-beta-lactamase from Bacillus cereus.
    Dal Peraro M, Vila AJ, Carloni P.
    Proteins; 2004 Feb 15; 54(3):412-23. PubMed ID: 14747990
    [Abstract] [Full Text] [Related]

  • 13. The crystal structure of the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia at 1.7 A resolution.
    Ullah JH, Walsh TR, Taylor IA, Emery DC, Verma CS, Gamblin SJ, Spencer J.
    J Mol Biol; 1998 Nov 20; 284(1):125-36. PubMed ID: 9811546
    [Abstract] [Full Text] [Related]

  • 14. On the mechanism of the metallo-beta-lactamase from Bacteroides fragilis.
    Wang Z, Fast W, Benkovic SJ.
    Biochemistry; 1999 Aug 03; 38(31):10013-23. PubMed ID: 10433708
    [Abstract] [Full Text] [Related]

  • 15. Protonation state of Asp120 in the binuclear active site of the metallo-beta-lactamase from Bacteroides fragilis.
    Dal Peraro M, Vila AJ, Carloni P.
    Inorg Chem; 2003 Jul 14; 42(14):4245-7. PubMed ID: 12844290
    [Abstract] [Full Text] [Related]

  • 16. Substrate binding and catalytic mechanism in phospholipase C from Bacillus cereus: a molecular mechanics and molecular dynamics study.
    da Graça Thrige D, Buur JR, Jørgensen FS.
    Biopolymers; 1997 Sep 14; 42(3):319-36. PubMed ID: 9279125
    [Abstract] [Full Text] [Related]

  • 17. Crystal structure of the wide-spectrum binuclear zinc beta-lactamase from Bacteroides fragilis.
    Concha NO, Rasmussen BA, Bush K, Herzberg O.
    Structure; 1996 Jul 15; 4(7):823-36. PubMed ID: 8805566
    [Abstract] [Full Text] [Related]

  • 18. Antibiotic binding to dizinc beta-lactamase L1 from Stenotrophomonas maltophilia: SCC-DFTB/CHARMM and DFT studies.
    Xu D, Guo H, Cui Q.
    J Phys Chem A; 2007 Jul 05; 111(26):5630-6. PubMed ID: 17388313
    [Abstract] [Full Text] [Related]

  • 19. Inhibitor binding by metallo-beta-lactamase IMP-1 from Pseudomonas aeruginosa: quantum mechanical/molecular mechanical simulations.
    Wang C, Guo H.
    J Phys Chem B; 2007 Aug 23; 111(33):9986-92. PubMed ID: 17663582
    [Abstract] [Full Text] [Related]

  • 20. Theoretical investigation of the reaction mechanism of the dinuclear zinc enzyme dihydroorotase.
    Liao RZ, Yu JG, Raushel FM, Himo F.
    Chemistry; 2008 Aug 23; 14(14):4287-92. PubMed ID: 18366031
    [Abstract] [Full Text] [Related]

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