(Q33572485)

28 July 2017

title

Born-Oppenheimer ab initio QM/MM molecular dynamics simulations of the hydrolysis reaction catalyzed by protein arginine deiminase 4. (English)

1 reference

28 July 2017

Zhihong Ke

1

1 reference

28 July 2017

Shenglong Wang

series ordinal

2

1 reference

28 July 2017

Daiqian Xie

series ordinal

3

1 reference

28 July 2017

Yingkai Zhang

series ordinal

4

1 reference

28 July 2017

language of work or name

English

0 references

publication date

1 December 2009

1 reference

Journal of Physical Chemistry B

28 July 2017

published in

1 reference

28 July 2017

volume

113

1 reference

28 July 2017

issue

52

1 reference

28 July 2017

page(s)

16705-16710

1 reference

Active site cysteine is protonated in the PAD4 Michaelis complex: evidence from Born-Oppenheimer ab initio QM/MM molecular dynamics simulations

28 July 2017

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21 June 2018

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21 June 2018

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L-canavanine is a time-controlled mechanism-based inhibitor of Pseudomonas aeruginosa arginine deiminase

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Inactivation of two diverse enzymes in the amidinotransferase superfamily by 2-chloroacetamidine: dimethylargininase and peptidylarginine deiminase

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Kinetic characterization of protein arginine deiminase 4: a transcriptional corepressor implicated in the onset and progression of rheumatoid arthritis

21 June 2018

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21 June 2018

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Deimination of histone H2A and H4 at arginine 3 in HL-60 granulocytes

21 June 2018

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21 June 2018

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Human PAD4 regulates histone arginine methylation levels via demethylimination

21 June 2018

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Histone deimination antagonizes arginine methylation

21 June 2018

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Structural basis for Ca(2+)-induced activation of human PAD4

21 June 2018

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Citrullinated proteins: sparks that may ignite the fire in rheumatoid arthritis

21 June 2018

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21 June 2018

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Structural insight into arginine degradation by arginine deiminase, an antibacterial and parasite drug target

21 June 2018

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21 June 2018

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21 June 2018

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Functional haplotypes of PADI4, encoding citrullinating enzyme peptidylarginine deiminase 4, are associated with rheumatoid arthritis

21 June 2018

1 reference

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Nuclear localization of peptidylarginine deiminase V and histone deimination in granulocytes

21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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Highly dissociative and concerted mechanism for the nicotinamide cleavage reaction in Sir2Tm enzyme suggested by ab initio QM/MM molecular dynamics simulations

21 June 2018

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The electrostatic driving force for nucleophilic catalysis in L-arginine deiminase: a combined experimental and theoretical study

31 October 2018

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Inactivation of microbial arginine deiminases by L-canavanine

31 October 2018

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Peptidyl arginine deiminase type 2 (PAD-2) and PAD-4 but not PAD-1, PAD-3, and PAD-6 are expressed in rheumatoid arthritis synovium in close association with tissue inflammation

31 October 2018

1 reference

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Kinetic analysis of Pseudomonas aeruginosa arginine deiminase mutants and alternate substrates provides insight into structural determinants of function.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2801900

Crystal structures representing the Michaelis complex and the thiouronium reaction intermediate of Pseudomonas aeruginosa arginine deiminase.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2801900

Arginine deiminase uses an active-site cysteine in nucleophilic catalysis of L-arginine hydrolysis

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2801900

Crystal structures of arginine deiminase with covalent reaction intermediates; implications for catalytic mechanism.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2801900

Deimination of arginine residues in nucleophosmin/B23 and histones in HL-60 granulocytes

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2801900

Substrate-assisted cysteine deprotonation in the mechanism of dimethylargininase (DDAH) from Pseudomonas aeruginosa

31 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20028143

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Improved pseudobonds for combined ab initio quantum mechanical/molecular mechanical methods

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20028143

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JP9080614

1 reference

28 July 2017

1 reference

28 July 2017

1 reference