114 related articles for article (PubMed ID: 20803053)
1. Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study.
Lee VS; Kodchakorn K; Jitonnom J; Nimmanpipug P; Kongtawelert P; Premanode B
J Comput Aided Mol Des; 2010 Oct; 24(10):879-86. PubMed ID: 20803053
[TBL] [Abstract][Full Text] [Related]
2. Crystal structures of creatininase reveal the substrate binding site and provide an insight into the catalytic mechanism.
Yoshimoto T; Tanaka N; Kanada N; Inoue T; Nakajima Y; Haratake M; Nakamura KT; Xu Y; Ito K
J Mol Biol; 2004 Mar; 337(2):399-416. PubMed ID: 15003455
[TBL] [Abstract][Full Text] [Related]
3. Crystal structure of creatininase from Pseudomonas putida: a novel fold and a case of convergent evolution.
Beuth B; Niefind K; Schomburg D
J Mol Biol; 2003 Sep; 332(1):287-301. PubMed ID: 12946365
[TBL] [Abstract][Full Text] [Related]
4. Quantum Mechanics/Molecular Mechanics Simulations Identify the Ring-Opening Mechanism of Creatininase.
Jitonnom J; Mujika JI; van der Kamp MW; Mulholland AJ
Biochemistry; 2017 Dec; 56(48):6377-6388. PubMed ID: 29140090
[TBL] [Abstract][Full Text] [Related]
5. Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase.
Yamashita K; Nakajima Y; Matsushita H; Nishiya Y; Yamazawa R; Wu YF; Matsubara F; Oyama H; Ito K; Yoshimoto T
J Mol Biol; 2010 Mar; 396(4):1081-96. PubMed ID: 20043918
[TBL] [Abstract][Full Text] [Related]
6. Role of water coordination at zinc binding site and its catalytic pathway of dizinc creatininase: insights from quantum cluster approach.
Meelua W; Oláh J; Jitonnom J
J Comput Aided Mol Des; 2022 Apr; 36(4):279-289. PubMed ID: 35384596
[TBL] [Abstract][Full Text] [Related]
7. Preliminary crystallographic studies of the creatinine amidohydrolase from Pseudomonas putida.
Ito K; Kanada N; Inoue T; Furukawa K; Yamashita K; Tanaka N; Nakamura KT; Nishiya Y; Sogabe A; Yoshimoto T
Acta Crystallogr D Biol Crystallogr; 2002 Dec; 58(Pt 12):2180-1. PubMed ID: 12454494
[TBL] [Abstract][Full Text] [Related]
8. Crystallization and preliminary crystallographic analysis of creatininase from Pseudomonas putida.
Beuth B; Niefind K; Schomburg D
Acta Crystallogr D Biol Crystallogr; 2002 Aug; 58(Pt 8):1356-8. PubMed ID: 12136154
[TBL] [Abstract][Full Text] [Related]
9. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
[TBL] [Abstract][Full Text] [Related]
10. Consecutive hydrolysis of creatinine using creatininase and creatinase encapsulated in Saccharomyces cerevisiae spores.
Kong J; Li Z; Zhang H; Gao XD; Nakanishi H
Biotechnol Lett; 2017 Feb; 39(2):261-267. PubMed ID: 27734207
[TBL] [Abstract][Full Text] [Related]
11. Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: bimetallic binding site and structured waters.
Gresh N; El Hage K; Perahia D; Piquemal JP; Berthomieu C; Berthomieu D
J Comput Chem; 2014 Nov; 35(29):2096-106. PubMed ID: 25212748
[TBL] [Abstract][Full Text] [Related]
12. A fundamental catalytic difference between zinc and manganese dependent enzymes revealed in a bacterial isatin hydrolase.
Sommer T; Bjerregaard-Andersen K; Uribe L; Etzerodt M; Diezemann G; Gauss J; Cascella M; Morth JP
Sci Rep; 2018 Aug; 8(1):13104. PubMed ID: 30166577
[TBL] [Abstract][Full Text] [Related]
13. Mechanism of peptide hydrolysis by co-catalytic metal centers containing leucine aminopeptidase enzyme: a DFT approach.
Zhu X; Barman A; Ozbil M; Zhang T; Li S; Prabhakar R
J Biol Inorg Chem; 2012 Feb; 17(2):209-22. PubMed ID: 21918843
[TBL] [Abstract][Full Text] [Related]
14. New Delhi metallo-β-lactamase I: substrate binding and catalytic mechanism.
Zheng M; Xu D
J Phys Chem B; 2013 Oct; 117(39):11596-607. PubMed ID: 24025144
[TBL] [Abstract][Full Text] [Related]
15. On the solvation of the Zn2+ ion in methanol: a combined quantum mechanics, molecular dynamics, and EXAFS approach.
Migliorati V; Chillemi G; D'Angelo P
Inorg Chem; 2011 Sep; 50(17):8509-15. PubMed ID: 21800865
[TBL] [Abstract][Full Text] [Related]
16. A Molecular Dynamics (MD) and Quantum Mechanics/Molecular Mechanics (QM/MM) study on Ornithine Cyclodeaminase (OCD): a tale of two iminiums.
Ion BF; Bushnell EA; Luna PD; Gauld JW
Int J Mol Sci; 2012 Oct; 13(10):12994-3011. PubMed ID: 23202934
[TBL] [Abstract][Full Text] [Related]
17. Crystal structure and molecular modeling study of N-carbamoylsarcosine amidase Ta0454 from Thermoplasma acidophilum.
Luo HB; Zheng H; Zimmerman MD; Chruszcz M; Skarina T; Egorova O; Savchenko A; Edwards AM; Minor W
J Struct Biol; 2010 Mar; 169(3):304-11. PubMed ID: 19932181
[TBL] [Abstract][Full Text] [Related]
18. Quantum chemical studies of the catalytic mechanism of N-terminal nucleophile hydrolase.
Chilov GG; Sidorova AV; Svedas VK
Biochemistry (Mosc); 2007 May; 72(5):495-500. PubMed ID: 17573703
[TBL] [Abstract][Full Text] [Related]
19. Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity.
Bujacz G; Alexandratos J; Wlodawer A; Merkel G; Andrake M; Katz RA; Skalka AM
J Biol Chem; 1997 Jul; 272(29):18161-8. PubMed ID: 9218451
[TBL] [Abstract][Full Text] [Related]
20. Modeling the Complete Catalytic Cycle of Aspartoacylase.
Kots ED; Khrenova MG; Lushchekina SV; Varfolomeev SD; Grigorenko BL; Nemukhin AV
J Phys Chem B; 2016 May; 120(18):4221-31. PubMed ID: 27089954
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
