Structural conservation of druggable hot spots in protein-protein interfaces (Q24614979)

2

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Gwo-Yu Chuang

3

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Regina Cencic

4

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Ryan Brenke

5

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Laurie E Grove

6

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Dmitri Beglov

7

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Jerry Pelletier

8

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Adrian Whitty

9

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Sandor Vajda

Proceedings of the National Academy of Sciences of the United States of America

10

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language of work or name

English

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publication date

16 August 2011

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published in

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volume

108

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page(s)

13528-33

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issue

33

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cites work

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Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication

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Crystal structure of ABT-737 complexed with Bcl-xL: implications for selectivity of antagonists of the Bcl-2 family

7 April 2017

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In vivo activation of the p53 pathway by small-molecule antagonists of MDM2

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Crystal structure of the E2 transactivation domain of human papillomavirus type 11 bound to a protein interaction inhibitor

7 April 2017

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Binding of small molecules to an adaptive protein-protein interface

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The bacterial cell-division protein ZipA and its interaction with an FtsZ fragment revealed by X-ray crystallography

7 April 2017

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Structure of Bcl-xL-Bak peptide complex: recognition between regulators of apoptosis

7 April 2017

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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

7 April 2017

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Small-molecule inhibition of the interaction between the translation initiation factors eIF4E and eIF4G

7 April 2017

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A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

7 April 2017

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MDM2--master regulator of the p53 tumor suppressor protein

7 April 2017

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Backbone-dependent rotamer library for proteins. Application to side-chain prediction

7 April 2017

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Reaching for high-hanging fruit in drug discovery at protein-protein interfaces

7 April 2017

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An inhibitor of Bcl-2 family proteins induces regression of solid tumours

7 April 2017

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A hot spot of binding energy in a hormone-receptor interface

7 April 2017

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Reversing chemoresistance by small molecule inhibition of the translation initiation complex eIF4F

7 April 2017

1 reference

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Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques

27 September 2017

1 reference

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Predicting druggable binding sites at the protein-protein interface.

27 September 2017

1 reference

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Small-molecule inhibitors of protein-protein interactions

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Targeting the eukaryotic translation initiation factor 4E for cancer therapy

27 September 2017

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble.

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Discovery of novel inhibitors of the ZipA/FtsZ complex by NMR fragment screening coupled with structure-based design

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Between a rock and a hard place?

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

On the nature of cavities on protein surfaces: application to the identification of drug-binding sites

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Formation of virus-like clusters is an intrinsic property of the tumor necrosis factor family member BAFF (B cell activating factor).

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Small-molecule inhibition of TNF-alpha

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Druggability indices for protein targets derived from NMR-based screening data

27 September 2017

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Pocketome via comprehensive identification and classification of ligand binding envelopes.

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

The X-ray structure of the papillomavirus helicase in complex with its molecular matchmaker E2.

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Computational mapping identifies the binding sites of organic solvents on proteins

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Locating and characterizing binding sites on proteins

27 September 2017

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Protein clefts in molecular recognition and function

27 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158149

Effects of conformational dynamics on predicted protein druggability.

30 May 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1101835108

Identification of hot spots within druggable binding regions by computational solvent mapping of proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1101835108

Functionality maps of binding sites: a multiple copy simultaneous search method

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1101835108

Discovery of a potent small molecule IL-2 inhibitor through fragment assembly

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1101835108

Design and synthesis of indolo[2,3-a]quinolizin-7-one inhibitors of the ZipA-FtsZ interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1101835108

Protein-protein interactions: hot spots and structurally conserved residues often locate in complemented pockets that pre-organized in the unbound states: implications for docking.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1101835108

Protein-ligand docking against non-native protein conformers

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1101835108

Transient Pockets on Protein Surfaces Involved in Protein−Protein Interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1101835108

The structure of interleukin-2 complexed with its alpha receptor

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21808046

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.1101835108

1 reference

102846

ADS bibcode

2011PNAS..10813528K

0 references

102846

1 reference

1 reference

1 reference