(Q34284194)

1 August 2017

title

Modeling holo-ACP:DH and holo-ACP:KR complexes of modular polyketide synthases: a docking and molecular dynamics study (English)

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1 August 2017

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Swadha Anand

1

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1 August 2017

Debasisa Mohanty

series ordinal

2

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1 August 2017

publication date

28 May 2012

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1 August 2017

published in

BMC Structural Biology

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1 August 2017

volume

12

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1 August 2017

page(s)

10

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https://scigraph.springernature.com/pub.10.1186/1472-6807-12-10

1 August 2017

exact match

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cites work

Structural and Biochemical Studies of the Hedamycin Type II Polyketide Ketoreductase ( Hed KR): Molecular Basis of Stereo- and Regiospecificities

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Structural and functional analysis of C2-type ketoreductases from modular polyketide synthases

6 July 2018

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Structural and Biochemical Analyses of Regio- and Stereospecificities Observed in a Type II Polyketide Ketoreductase

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

Structural and functional analysis of A-type ketoreductases from the amphotericin modular polyketide synthase

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

SBSPKS: structure based sequence analysis of polyketide synthases

6 July 2018

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Modeling the binding modes of stilbene analogs to cyclooxygenase-2: a molecular docking study

6 July 2018

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Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway

6 July 2018

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Dissecting the role of critical residues and substrate preference of a Fatty Acyl-CoA Synthetase (FadD13) of Mycobacterium tuberculosis

6 July 2018

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Crystal Structure of the Erythromycin Polyketide Synthase Dehydratase

6 July 2018

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The crystal structure of a mammalian fatty acid synthase

6 July 2018

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Inhibition Kinetics and Emodin Cocrystal Structure of a Type II Polyketide Ketoreductase † , ‡

6 July 2018

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Solution structure and proposed domain-domain recognition interface of an acyl carrier protein domain from a modular polyketide synthase

6 July 2018

1 reference

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A tylosin ketoreductase reveals how chirality is determined in polyketides

6 July 2018

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Assembly-line enzymology for polyketide and nonribosomal Peptide antibiotics: logic, machinery, and mechanisms.

6 July 2018

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Solution structures of spinach acyl carrier protein with decanoate and stearate

6 July 2018

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The Amber biomolecular simulation programs

6 July 2018

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The crystal structure of the actIII actinorhodin polyketide reductase: proposed mechanism for ACP and polyketide binding

6 July 2018

1 reference

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The Hotdog fold: wrapping up a superfamily of thioesterases and dehydratases

6 July 2018

1 reference

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An antibiotic factory caught in action

6 July 2018

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NRPS-PKS: a knowledge-based resource for analysis of NRPS/PKS megasynthases

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

6 July 2018

1 reference

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Crystal structures of substrate binding to Bacillus subtilis holo-(acyl carrier protein) synthase reveal a novel trimeric arrangement of molecules resulting in three active sites

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

Modelling protein docking using shape complementarity, electrostatics and biochemical information

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

Structure of a dehydratase-isomerase from the bacterial pathway for biosynthesis of unsaturated fatty acids: two catalytic activities in one active site

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

Comparative protein modelling by satisfaction of spatial restraints

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

Molecular modeling: an experimental tool

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

ClustScan: an integrated program package for the semi-automatic annotation of modular biosynthetic gene clusters and in silico prediction of novel chemical structures

6 July 2018

1 reference

https://api.crossref.org/works/10.1186%2F1472-6807-12-10

Conserved amino acid residues correlating with ketoreductase stereospecificity in modular polyketide synthases

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1472-6807-12-10

The structure of (3R)-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Pseudomonas aeruginosa.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1472-6807-12-10

Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1472-6807-12-10

The structure of a ketoreductase determines the organization of the beta-carbon processing enzymes of modular polyketide synthases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1472-6807-12-10

Molecular modeling study on orphan human protein CYP4A22 for identification of potential ligand binding site.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1472-6807-12-10

Identification of ligand binding site on RXRγ using molecular docking and dynamics methods

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

The crystal structure of PfFabZ, the unique beta-hydroxyacyl-ACP dehydratase involved in fatty acid biosynthesis of Plasmodium falciparum.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

Use of pair potentials across protein interfaces in screening predicted docked complexes.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3422181

28 October 2018

Identifiers

DOI

10.1186/1472-6807-12-10

1 reference

Dimensions Publication ID

1 August 2017

0 references

1 reference

1 August 2017

1 reference