(Q34044404)

30 July 2017

title

Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. (English)

1 reference

Mycobacterium tuberculosis

30 July 2017

main subject

0 references

author

Cheng-Tsung Lai

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

Peter J. Tonge

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

author name string

Huei-Jiun Li

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

Weixuan Yu

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

Sonam Shah

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

Gopal R Bommineni

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

Victoria Perrone

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

Miguel Garcia-Diaz

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

Carlos Simmerling

9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

language of work or name

English

0 references

publication date

24 July 2015

1 reference

30 July 2017

number of pages

9

1 reference

inferred from page(s)

published in

Biochemistry

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

volume

54

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

issue

30

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

page(s)

4683-4691

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

A [(32)P]NAD(+)-based method to identify and quantitate long residence time enoyl-acyl carrier protein reductase inhibitors

14 June 2020

cites work

1 reference

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A structural and energetic model for the slow-onset inhibition of the Mycobacterium tuberculosis enoyl-ACP reductase InhA.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Structure-kinetic relationships--an overlooked parameter in hit-to-lead optimization: a case of cyclopentylamines as chemokine receptor 2 antagonists

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Structure-kinetic relationship study of CDK8/CycC specific compounds

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Targeting InhA, the FASII enoyl-ACP reductase: SAR studies on novel inhibitor scaffolds.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Crystal structures of Enoyl-ACP reductases I (FabI) and III (FabL) from B. subtilis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Structure of theFrancisella tularensisenoyl-acyl carrier protein reductase (FabI) in complex with NAD+and triclosan

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Drug-target residence time: critical information for lead optimization.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

UDP-(5F)-GlcNAc acts as a slow-binding inhibitor of MshA, a retaining glycosyltransferase

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

A Slow, Tight Binding Inhibitor of InhA, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium tuberculosis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

A Partial Nudged Elastic Band Implementation for Use with Large or Explicitly Solvated Systems

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Structural insights into Staphylococcus aureus enoyl-ACP reductase (FabI), in complex with NADP and triclosan

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

DOCK 6: combining techniques to model RNA-small molecule complexes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Slow-Onset Inhibition of the FabI Enoyl Reductase from Francisella tularensis : Residence Time and in Vivo Activity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Design and Synthesis of Aryl Ether Inhibitors of theBacillus AnthracisEnoyl-ACP Reductase

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Residence time of receptor-ligand complexes and its effect on biological function

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Crystal structure of the Helicobacter pylori enoyl-acyl carrier protein reductase in complex with hydroxydiphenyl ether compounds, triclosan and diclosan

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

A milestoning study of the kinetics of an allosteric transition: atomically detailed simulations of deoxy Scapharca hemoglobin

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Comparison of multiple Amber force fields and development of improved protein backbone parameters

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Drug-target residence time and its implications for lead optimization

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

The Amber biomolecular simulation programs

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Development and testing of a general amber force field

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

The isoniazid-NAD adduct is a slow, tight-binding inhibitor of InhA, the Mycobacterium tuberculosis enoyl reductase: adduct affinity and drug resistance

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Structural basis and mechanism of enoyl reductase inhibition by triclosan

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

The behavior and significance of slow-binding enzyme inhibitors

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Time-dependent, reversible, oxaborole inhibition of Escherichia coli leucyl-tRNA synthetase measured with a continuous fluorescence assay.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Nudged elastic band calculation of minimal energy paths for the conformational change of a GG non-canonical pair

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Computing time scales from reaction coordinates by milestoning.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4805124

Evaluation of enzyme inhibitors in drug discovery. A guide for medicinal chemists and pharmacologists

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26147157

12 December 2020

inferred from PubMed ID database lookup

High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains ofMycobacterium tuberculosis

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26147157

12 December 2020

inferred from PubMed ID database lookup

Processing of X-ray diffraction data collected in oscillation mode

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26147157

12 December 2020

inferred from PubMed ID database lookup

Identifiers

DOI

10.1021/ACS.BIOCHEM.5B00284

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

release_pbgsuvhdy5dv7ilb7mwcm2vmta

14 June 2020

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/pbgsuvhdy5dv7ilb7mwcm2vmta

24 November 2022

mapped directly with Wikidata item

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json

14 June 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26147157%20AND%20SRC:MED&resulttype=core&format=json