Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions. (Q30367299)

21 June 2017

Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions. (English)

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21 June 2017

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Ryoichi Minai

1

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21 June 2017

Yo Matsuo

series ordinal

2

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21 June 2017

Hiroyuki Onuki

series ordinal

3

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21 June 2017

Hiroshi Hirota

series ordinal

4

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21 June 2017

language of work or name

English

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publication date

1 July 2008

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21 June 2017

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21 June 2017

72

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21 June 2017

367-381

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21 June 2017

1

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Aspirin induces its anti-inflammatory effects through its specific binding to phospholipase A2: crystal structure of the complex formed between phospholipase A2 and aspirin at 1.9 angstroms resolution

21 June 2017

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

The anti-inflammatory agents aspirin and salicylate inhibit the activity of I(kappa)B kinase-beta

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Identification of telmisartan as a unique angiotensin II receptor antagonist with selective PPARgamma-modulating activity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Identifying off-target effects and hidden phenotypes of drugs in human cells

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Chemoproteomics-driven drug discovery: addressing high attrition rates

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Designed multiple ligands. An emerging drug discovery paradigm

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

From magic bullets to designed multiple ligands

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.21933

Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.21933

Drug discovery: playing dirty

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.21933

Promiscuous drugs compared to selective drugs (promiscuity can be a virtue)

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Structural motif of phosphate-binding site common to various protein superfamilies: all-against-all structural comparison of protein-mononucleotide complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Towards a structural classification of phosphate binding sites in protein-nucleotide complexes: an automated all-against-all structural comparison using geometric matching

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Pocketome via comprehensive identification and classification of ligand binding envelopes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Inferring functional relationships of proteins from local sequence and spatial surface patterns

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Classification and comparison of ligand-binding sites derived from grid-mapped knowledge-based potentials

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

A searchable database for comparing protein-ligand binding sites for the analysis of structure-function relationships.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.21933

Fold independent structural comparisons of protein-ligand binding sites for exploring functional relationships

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.21933

Identification of the ligand binding sites on the molecular surface of proteins

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.21933

A new method to detect related function among proteins independent of sequence and fold homology.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.21933

Het-PDB Navi.: a database for protein-small molecule interactions.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.21933

Identification of protein functions from a molecular surface database, eF-site.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.21933

Relibase: design and development of a database for comprehensive analysis of protein-ligand interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

PDB-Ligand: a ligand database based on PDB for the automated and customized classification of ligand-binding structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

SURFACE: a database of protein surface regions for functional annotation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Functional annotation by identification of local surface similarities: a novel tool for structural genomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

SitesBase: a database for structure-based protein-ligand binding site comparisons

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Comparison of protein active site structures for functional annotation of proteins and drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

21 January 2018

The Protein Data Bank

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https://api.crossref.org/works/10.1002%2FPROT.21933

Fast prediction and visualization of protein binding pockets with PASS.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

The Blue Obelisk-interoperability in chemical informatics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

PRODRG: a tool for high-throughput crystallography of protein-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

A solution for the best rotation to relate two sets of vectors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Database resources of the National Center for Biotechnology Information

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

SCOP: a structural classification of proteins database for the investigation of sequences and structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Carbohydrate-binding modules: fine-tuning polysaccharide recognition

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Solution structure of the CBM10 cellulose binding module from Pseudomonas xylanase A

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Enzyme-mononucleotide interactions: three different folds share common structural elements for ATP recognition

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Inhibition of matrix metalloproteinase activity and growth of gastric adenocarcinoma cells by an angiotensin converting enzyme inhibitor in in vitro and murine models

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Lovastatin and beyond: the history of the HMG-CoA reductase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Crystal structure of a heterodimeric complex of RAR and RXR ligand-binding domains

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Structural basis for LFA-1 inhibition upon lovastatin binding to the CD11a I-domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

The structure of human cytochrome P450 2C9 complexed with flurbiprofen at 2.0-A resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

The crystal structure of the nuclear receptor for vitamin D bound to its natural ligand

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

N-terminal domain swapping and metal ion binding in nitric oxide synthase dimerization.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

The structural basis of aspirin activity inferred from the crystal structure of inactivated prostaglandin H2 synthase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

The mode of action of aspirin-like drugs: effect on inducible nitric oxide synthase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

Nuclear receptors as potential targets for modulating reverse cholesterol transport

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.21933

21 January 2018

Identifiers

DOI

10.1002/PROT.21933

1 reference

21 June 2017

1 reference