Warning: Undefined array key "mm" in /www/wwwroot/www.ai-bt.com/si.php on line 10 Deprecated: trim(): Passing null to parameter #1 ($string) of type string is deprecated in /www/wwwroot/www.ai-bt.com/si.php on line 10 QM/MM studies of monozinc β-lactamase CphA suggest that the crystal structure of an enzyme-intermediate complex represents a minor pathway.

Literature DB >> 21138257

QM/MM studies of monozinc β-lactamase CphA suggest that the crystal structure of an enzyme-intermediate complex represents a minor pathway.

Abstract

QM/MM studies of the hydrolysis of a β-lactam antibiotic molecule (biapenem) catalyzed by a monozinc β-lactamase (CphA) have revealed the complete reaction mechanism and shown that an experimentally determined enzyme-intermediate complex is a stable intermediate or product in a minor pathway.

Entities: Chemical Disease Species

Mesh：

Substances：

Year: 2010 PMID： 21138257 PMCID： PMC3009838 DOI： 10.1021/ja104241g

Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419

27 in total

Review 1. Molecular mechanisms that confer antibacterial drug resistance.

Authors: C Walsh
Journal: Nature Date: 2000-08-17 Impact factor: 49.962

Review 2. Bacterial resistance to beta-lactam antibiotics: compelling opportunism, compelling opportunity.

Authors: Jed F Fisher; Samy O Meroueh; Shahriar Mobashery
Journal: Chem Rev Date: 2005-02 Impact factor: 60.622

Review 3. Metallo-beta-lactamases: novel weaponry for antibiotic resistance in bacteria.

Authors: Michael W Crowder; James Spencer; Alejandro J Vila
Journal: Acc Chem Res Date: 2006-10 Impact factor: 22.384

4. Adaptive protein evolution grants organismal fitness by improving catalysis and flexibility.

Authors: Pablo E Tomatis; Stella M Fabiane; Fabio Simona; Paolo Carloni; Brian J Sutton; Alejandro J Vila
Journal: Proc Natl Acad Sci U S A Date: 2008-12-19 Impact factor: 11.205

5. Mechanistic studies on the mononuclear ZnII-containing metallo-beta-lactamase ImiS from Aeromonas sobria.

Authors: Narayan P Sharma; Christine Hajdin; Sowmya Chandrasekar; Brian Bennett; Ke-Wu Yang; Michael W Crowder
Journal: Biochemistry Date: 2006-09-05 Impact factor: 3.162

6. Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes.

Authors: Demian Riccardi; Patricia Schaefer; Yang Yang; Haibo Yu; Nilanjan Ghosh; Xavier Prat-Resina; Peter König; Guohui Li; Dingguo Xu; Hua Guo; Marcus Elstner; Qiang Cui
Journal: J Phys Chem B Date: 2006-04-06 Impact factor: 2.991

7. X-ray absorption spectroscopy of the zinc-binding sites in the class B2 metallo-beta-lactamase ImiS from Aeromonas veronii bv. sobria.

Authors: Alison L Costello; Narayan P Sharma; Ke-Wu Yang; Michael W Crowder; David L Tierney
Journal: Biochemistry Date: 2006-11-14 Impact factor: 3.162

8. Evolving carbapenemases: can medicinal chemists advance one step ahead of the coming storm?

Authors: Peter Oelschlaeger; Ni Ai; Kevin T Duprez; William J Welsh; Jeffrey H Toney
Journal: J Med Chem Date: 2010-04-22 Impact factor: 7.446

9. Common mechanistic features among metallo-beta-lactamases: a computational study of Aeromonas hydrophila CphA enzyme.

Authors: Fabio Simona; Alessandra Magistrato; Matteo Dal Peraro; Andrea Cavalli; Alejandro J Vila; Paolo Carloni
Journal: J Biol Chem Date: 2009-08-11 Impact factor: 5.157

10. Antibiotic recognition by binuclear metallo-beta-lactamases revealed by X-ray crystallography.

Authors: James Spencer; Jonathan Read; Richard B Sessions; Steven Howell; G Michael Blackburn; Steven J Gamblin
Journal: J Am Chem Soc Date: 2005-10-19 Impact factor: 15.419

19 in total

1. On the active site of mononuclear B1 metallo β-lactamases: a computational study.

Authors: Jacopo Sgrignani; Alessandra Magistrato; Matteo Dal Peraro; Alejandro J Vila; Paolo Carloni; Roberta Pierattelli
Journal: J Comput Aided Mol Des Date: 2012-04-25 Impact factor: 3.686

2. pH-Dependent reactivity for glycyl-L-tyrosine in carboxypeptidase-A-catalyzed hydrolysis.

Authors: Shanshan Wu; Chunchun Zhang; Ruyin Cao; Dingguo Xu; Hua Guo
Journal: J Phys Chem B Date: 2011-08-05 Impact factor: 2.991

3. Catalytic mechanism of aromatic prenylation by NphB.

Authors: Yue Yang; Yipu Miao; Bing Wang; Guanglei Cui; Kenneth M Merz
Journal: Biochemistry Date: 2012-03-12 Impact factor: 3.162

4. Insights into the mechanistic dichotomy of the protein farnesyltransferase peptide substrates CVIM and CVLS.

Authors: Yue Yang; Bing Wang; Melek N Ucisik; Guanglei Cui; Carol A Fierke; Kenneth M Merz
Journal: J Am Chem Soc Date: 2012-01-06 Impact factor: 15.419

Review 5. Metallo-β-lactamase structure and function.

Authors: Timothy Palzkill
Journal: Ann N Y Acad Sci Date: 2012-11-16 Impact factor: 5.691

Review 6. B1-Metallo-β-Lactamases: Where Do We Stand?

Authors: Maria F Mojica; Robert A Bonomo; Walter Fast
Journal: Curr Drug Targets Date: 2016 Impact factor: 3.465

Review 7. Carbapenems: past, present, and future.

Authors: Krisztina M Papp-Wallace; Andrea Endimiani; Magdalena A Taracila; Robert A Bonomo
Journal: Antimicrob Agents Chemother Date: 2011-08-22 Impact factor: 5.191

8. Inhibitor and substrate binding by angiotensin-converting enzyme: quantum mechanical/molecular mechanical molecular dynamics studies.

Authors: Xuemei Wang; Shanshan Wu; Dingguo Xu; Daiqian Xie; Hua Guo
Journal: J Chem Inf Model Date: 2011-04-26 Impact factor: 4.956

9. A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1.

Authors: Kongkai Zhu; Junyan Lu; Zhongjie Liang; Xiangqian Kong; Fei Ye; Lu Jin; Heji Geng; Yong Chen; Mingyue Zheng; Hualiang Jiang; Jun-Qian Li; Cheng Luo
Journal: J Comput Aided Mol Des Date: 2013-03-02 Impact factor: 3.686

10. QM/MM investigation of substrate binding of subclass B3 metallo-β-lactamase SMB-1 from Serratia marcescents: insights into catalytic mechanism.

Authors: Xia Mu; Dingguo Xu
Journal: J Mol Model Date: 2020-03-07 Impact factor: 1.810