(Q58360607)

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20 January 2020

title

Discovering new classes of Brugia malayi asparaginyl-tRNA synthetase inhibitors and relating specificity to conformational change (English)

1 reference

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20 January 2020

1 reference

2

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20 January 2020

Regan J. Anderson

6

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20 January 2020

Jonathan C. Morris

7

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20 January 2020

Gavin O'Mahony

9

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20 January 2020

Morten Grøtli

10

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20 January 2020

Stephen Anthony Cusack

14

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20 January 2020

author name string

Youli Milev

3

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20 January 2020

Anjali Rohatgi

8

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20 January 2020

Franck Danel

11

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20 January 2020

Michael Härtlein

13

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20 January 2020

Sai Chetan K Sukuru

1

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20 January 2020

Liesl C Marsh

4

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20 January 2020

Jonathan B Hill

5

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20 January 2020

Malcolm G P Page

12

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20 January 2020

Michael A Kron

15

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20 January 2020

Leslie A Kuhn

16

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20 January 2020

publication date

1 March 2006

1 reference

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Journal of Computer - Aided Molecular Design

20 January 2020

published in

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20 January 2020

volume

20

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20 January 2020

issue

3

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20 January 2020

page(s)

159-178

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Interaction of pseudomonic acid A with Escherichia coli B isoleucyl-tRNA synthetase

20 January 2020

cites work

1 reference

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Virtual screening for binding of phenylalanine analogues to phenylalanyl-tRNA synthetase.

21 January 2018

1 reference

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Aminoacyl tRNA synthetases as targets for new anti-infectives.

21 January 2018

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12 December 2020

Assessing scoring functions for protein-ligand interactions

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12 December 2020

Lymphatic filariasis: new insights into an old disease

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12 December 2020

Human cytosolic asparaginyl-tRNA synthetase: cDNA sequence, functional expression in Escherichia coli and characterization as human autoantigen

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12 December 2020

Screening a peptidyl database for potential ligands to proteins with side-chain flexibility

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12 December 2020

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12 December 2020

Enhanced CACTVS browser of the Open NCI Database

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12 December 2020

A second class of synthetase structure revealed by X-ray analysis of Escherichia coli seryl-tRNA synthetase at 2.5 A.

1 reference

12 December 2020

A malachite green procedure for orthophosphate determination and its use in alkaline phosphatase-based enzyme immunoassay.

1 reference

12 December 2020

Rational design of femtomolar inhibitors of isoleucyl tRNA synthetase from a binding model for pseudomonic acid-A

1 reference

12 December 2020

An immunodominant antigen of Brugia malayi is an asparaginyl‐tRNA synthetase

1 reference

12 December 2020

Meridianins, a new family of protein kinase inhibitors isolated from the ascidian Aplidium meridianum.

1 reference

12 December 2020

Accommodating protein flexibility in computational drug design

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12 December 2020

Functional plasticity in the substrate binding site of beta-secretase

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12 December 2020

Identifying protein folding cores from the evolution of flexible regions during unfolding

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12 December 2020

Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination

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12 December 2020

Synthesis and aminoacyl-tRNA synthetase inhibitory activity of aspartyl adenylate analogs

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12 December 2020

Partition of tRNA synthetases into two classes based on mutually exclusive sets of sequence motifs

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12 December 2020

Aminoacyl-tRNA synthetases, the genetic code, and the evolutionary process

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12 December 2020

Life-science applications of the Cambridge Structural Database

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12 December 2020

The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition

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12 December 2020

Synthesis and activity of substituted anthraquinones against a human filarial parasite, Brugia malayi

1 reference

12 December 2020

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

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12 December 2020

Protein unfolding: rigidity lost

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12 December 2020

Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.

1 reference

12 December 2020

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

1 reference

12 December 2020

Side-chain flexibility in protein-ligand binding: the minimal rotation hypothesis

1 reference

12 December 2020

Database screening for HIV protease ligands: the influence of binding-site conformation and representation on ligand selectivity

1 reference

12 December 2020

Developing a dynamic pharmacophore model for HIV-1 integrase.

1 reference

12 December 2020

Sampling protein conformations and pathways

1 reference

12 December 2020

Chemotherapy of experimental trypanosomiasis; trypanocidal activity of certain bis (2-methyl-4-amino-6-quinolyl) amides and ethers.

1 reference

12 December 2020

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

1 reference

12 December 2020

Inhibition of cyclin-dependent kinase 1 by purines and pyrrolo[2,3-d]pyrimidines does not correlate with antiviral activity

1 reference

12 December 2020

Discovery of a potent and selective series of pyrazole bacterial methionyl-tRNA synthetase inhibitors

1 reference

12 December 2020

A robotics-based automated assay for inorganic and organic phosphates

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12 December 2020

Designing non-peptide peptidomimetics in the 21st century: inhibitors targeting conformational ensembles.

1 reference

12 December 2020

Concise total syntheses of variolin B and deoxyvariolin B.

1 reference

12 December 2020

Inhibition of histone H1 phosphorylation by sangivamycin and other pyrrolopyrimidine analogues

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12 December 2020

Class II aminoacyl transfer RNA synthetases: crystal structure of yeast aspartyl-tRNA synthetase complexed with tRNA(Asp)

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12 December 2020

Ivermectin: effectiveness in lymphatic filariasis

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12 December 2020

A succession of substrate induced conformational changes ensures the amino acid specificity of Thermus thermophilus prolyl-tRNA synthetase: comparison with histidyl-tRNA synthetase

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12 December 2020

Change in protein flexibility upon complex formation: analysis of Ras-Raf using molecular dynamics and a molecular framework approach.

1 reference

12 December 2020

FlexE: efficient molecular docking considering protein structure variations.

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12 December 2020

N-Alkoxysulfamide, N-hydroxysulfamide, and sulfamate analogues of methionyl and isoleucyl adenylates as inhibitors of methionyl-tRNA and isoleucyl-tRNA synthetases

1 reference

12 December 2020

Defining the active site of yeast seryl-tRNA synthetase. Mutations in motif 2 loop residues affect tRNA-dependent amino acid recognition

1 reference

12 December 2020

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

12 December 2020

Principles of docking: An overview of search algorithms and a guide to scoring functions

1 reference

12 December 2020

Protein flexibility predictions using graph theory

1 reference

12 December 2020

Halogenated pyrrolopyrimidine analogues of adenosine from marine organisms: Pharmacological activities and potent inhibition of adenosine kinase

1 reference

12 December 2020

Expression, localization and alternative function of cytoplasmic asparaginyl-tRNA synthetase in Brugia malayi

1 reference

12 December 2020

In-vitro activity of mupirocin ('pseudomonic acid') against clinical isolates of Staphylococcus aureus.

1 reference

12 December 2020

Discovery and optimisation of potent, selective, ethanolamine inhibitors of bacterial phenylalanyl tRNA synthetase

1 reference

12 December 2020

Reduction of c-Src activity by substituted 5,7-diphenyl-pyrrolo[2,3-d]-pyrimidines induces osteoclast apoptosis in vivo and in vitro. Involvement of ERK1/2 pathway

1 reference

12 December 2020

Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock

1 reference

12 December 2020

An analysis of the safety of the single dose, two drug regimens used in programmes to eliminate lymphatic filariasis

1 reference

12 December 2020

Antiplasmodial activity of a series of 1,3,5-triazine-substituted polyamines.

1 reference

12 December 2020

Molecular docking to ensembles of protein structures

1 reference

12 December 2020

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

1 reference

12 December 2020

Recent advances in PDE4 inhibitors as immunoregulators and anti-inflammatory drugs

1 reference

12 December 2020

Pyrrolopyrimidine c-Src inhibitors reduce growth, adhesion, motility and invasion of prostate cancer cells in vitro.

1 reference

12 December 2020

Cloning and characterization of a potentially protective antigen in lymphatic filariasis

1 reference

12 December 2020

New molecular targets for filariasis drug discovery

1 reference

12 December 2020

3-D-QSAR study and molecular docking of methionyl-tRNA synthetase inhibitors

1 reference

12 December 2020

Detailed analysis of scoring functions for virtual screening

1 reference

12 December 2020

Assay of inorganic and organic phosphorus in the 0.1–5 nanomole range

1 reference

12 December 2020

The total synthesis of (+/-)-rishirilide B.

1 reference

12 December 2020

Protein flexibility in ligand docking and virtual screening to protein kinases.

1 reference

12 December 2020

Knowledge-based scoring function to predict protein-ligand interactions.

1 reference

12 December 2020

The crystal structure of the ternary complex of T.thermophilus seryl-tRNA synthetase with tRNA(Ser) and a seryl-adenylate analogue reveals a conformational switch in the active site

1 reference

12 December 2020

Principles of docking: An overview of search algorithms and a guide to scoring functions

1 reference

12 December 2020

10.1007/S10822-006-9043-5

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16645791%20AND%20SRC:MED&resulttype=core&format=json

journals/jcamd/SukuruCMMHAMROGDPHCKK06

20 January 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference