(Q84417497)

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Homology modeling of the structure of acyl coA:isopenicillin N-acyltransferase (IAT) from Penicillium chrysogenum. IAT interaction studies with isopenicillin-N, combining molecular dynamics simulations and docking

scientific article published on 22 June 2011

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Europe PubMed Central

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5 February 2020

Homology modeling of the structure of acyl coA:isopenicillin N-acyltransferase (IAT) from Penicillium chrysogenum. IAT interaction studies with isopenicillin-N, combining molecular dynamics simulations and docking (English)

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5 February 2020

Penicillium chrysogenum

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Penicillium chrysogenum

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Rachid C. Maroun Or Rachid Maroun

3

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5 February 2020

Francisco Fernandez

4

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5 February 2020

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Liliana Moreno-Vargas

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5 February 2020

Jose Correa-Basurto

2

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5 February 2020

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22 June 2011

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5 February 2020

Journal of Molecular Modeling

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5 February 2020

18

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5 February 2020

3

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5 February 2020

1189-1205

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5 February 2020

Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand design

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

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Analytical shape computation of macromolecules: II. Inaccessible cavities in proteins.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Purification, crystallization and preliminary X-ray diffraction of Cys103Ala acyl coenzyme A: isopenicillin N acyltransferase from Penicillium chrysogenum

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Light-activated rhodopsin induces structural binding motif in G protein alpha subunit

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The isopenicillin N acyltransferases of Aspergillus nidulans and Penicillium chrysogenum differ in their ability to maintain the 40-kDa alphabeta heterodimer in an undissociated form.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Acyl coenzyme A: 6-aminopenicillanic acid acyltransferase from Penicillium chrysogenum and Aspergillus nidulans

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structures of an isopenicillin N converting Ntn-hydrolase reveal different catalytic roles for the active site residues of precursor and mature enzyme

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An automated method for modeling proteins on known templates using distance geometry

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Exploring the extremes of sequence/structure space with ensemble fold recognition in the program Phyre

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural relationships of homologous proteins as a fundamental principle in homology modeling

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Conjugated bile acid hydrolase is a tetrameric N-terminal thiol hydrolase with specific recognition of its cholyl but not of its tauryl product.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Enzymatic synthesis of penicillins

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cloning, characterization of the acyl-CoA:6-amino penicillanic acid acyltransferase gene of Aspergillus nidulans and linkage to the isopenicillin N synthase gene

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The isopenicillin-N acyltransferase of Penicillium chrysogenum has isopenicillin-N amidohydrolase, 6-aminopenicillanic acid acyltransferase and penicillin amidase activities, all of which are encoded by the single penDE gene

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The requirement for subunit interaction in the production of Penicillium chrysogenum acyl-coenzyme A:isopenicillin N acyltransferase in Escherichia coli

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparison of conformational characteristics in structurally similar protein pairs

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Acyl-CoA: 6-APA acyltransferase from Penicillium chrysogenum studies on its hydrolytic activity

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Simplified normal mode analysis of conformational transitions in DNA-dependent polymerases: the elastic network model

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The kinetics of formation of native ribonuclease during oxidation of the reduced polypeptide chain

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Amino acid substitution matrices from protein blocks

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Novel knowledge-based mean force potential at atomic level

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

JPred: a consensus secondary structure prediction server

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Enrichment of Penicillium chrysogenum microbodies by isopycnic centrifugation in nycodenz as visualized with immuno-electron microscopy

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Stereochemical quality of protein structure coordinates

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Evaluation and improvement of multiple sequence methods for protein secondary structure prediction.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Investigations into the post-translational modification and mechanism of isopenicillin N:acyl-CoA acyltransferase using electrospray mass spectrometry

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

MolProbity: all-atom contacts and structure validation for proteins and nucleic acids

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Building-block approach for determining low-frequency normal modes of macromolecules.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Behaviour of tritium-labelled isopenicillin N and 6-aminopenicillanic acid as potential penicillin precursors in an extract of Penicillum chrysogenum

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Scalable molecular dynamics with NAMD

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A protein catalytic framework with an N-terminal nucleophile is capable of self-activation

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cation-pi interactions in ligand recognition and catalysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Modeling of loops in protein structures

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

In vitro enzymatic synthesis of new penicillins containing keto acids as side chains.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular characterization of three loss-of-function mutations in the isopenicillin N-acyltransferase gene (penDE) of Penicillium chrysogenum

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Blind docking of drug-sized compounds to proteins with up to a thousand residues

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Conformational change of proteins arising from normal mode calculations

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

On the Structure of Native, Denatured, and Coagulated Proteins

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cloning and characterization of the acyl-coenzyme A: 6-aminopenicillanic-acid-acyltransferase gene of Penicillium chrysogenum

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Peptidase family U34 belongs to the superfamily of N-terminal nucleophile hydrolases

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

"In vitro" synthesis of different naturally-occurring, semisynthetic and synthetic penicillins using a new and effective enzymatic coupled system

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Web services at the European bioinformatics institute

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

VMD: visual molecular dynamics

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Amino acid substitution matrices from an information theoretic perspective

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

All-atom empirical potential for molecular modeling and dynamics studies of proteins

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An approach to prevent aggregation during the purification and crystallization of wild type acyl coenzyme A: isopenicillin N acyltransferase from Penicillium chrysogenum

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Purification and characterization of delta-(L-alpha-aminoadipyl)-L-cysteinyl-D-valine synthetase from Penicillium chrysogenum

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A Method to Identify Protein Sequences That Fold into a Known Three-Dimensional Structure

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

MolTalk--a programming library for protein structures and structure analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Involvement of microbodies in penicillin biosynthesis

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Amino-acid substitutions in the cleavage site of acyl-coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum: effect on proenzyme cleavage and activity.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

On the production of alpha, beta-heterodimeric acyl-coenzyme A: isopenicillin N-acyltransferase of Penicillium chrysogenum. Studies using a recombinant source.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Miglustat (NB-DNJ) works as a chaperone for mutated acid beta-glucosidase in cells transfected with several Gaucher disease mutations

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Acyl-coenzyme A: isopenicillin N acyltransferase from Penicillium chrysogenum: effect of amino acid substitutions at Ser227, Ser230 and Ser309 on proenzyme cleavage and activity.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Assessing protein structures with a non-local atomic interaction energy.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Purification to homogeneity and characterization of acyl coenzyme A:6-aminopenicillanic acid acyltransferase of Penicillium chrysogenum

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The SWISS-PROT protein sequence database: its relevance to human molecular medical research.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A new method for building protein conformations from sequence alignments with homologues of known structure

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Protonation of histidine and histidine-tryptophan interaction in the activation of the M2 ion channel from influenza a virus

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A molecular basis for the different local anesthetic affinities of resting versus open and inactivated states of the sodium channel.

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

SWISS-MODEL: An automated protein homology-modeling server

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The Jpred 3 secondary structure prediction server

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

ESyPred3D: Prediction of proteins 3D structures

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The native-state ensemble of proteins provides clues for folding, misfolding and function

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Efficient docking of peptides to proteins without prior knowledge of the binding site

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The PredictProtein server

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative protein modelling by satisfaction of spatial restraints

1 reference

https://pubmed.ncbi.nlm.nih.gov/21695507

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S00894-011-1143-Z

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21695507%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21695507%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

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