Conformational landscape of the human immunodeficiency virus type 1 reverse transcriptase non-nucleoside inhibitor binding pocket: lessons for inhibitor design from a cluster analysis of many crystal structures. (Q38587299)

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scientific article published on October 2009

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English	Conformational landscape of the human immunodeficiency virus type 1 reverse transcriptase non-nucleoside inhibitor binding pocket: lessons for inhibitor design from a cluster analysis of many crystal structures.	scientific article published on October 2009

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scholarly article

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Europe PubMed Central

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9 February 2020

Conformational landscape of the human immunodeficiency virus type 1 reverse transcriptase non-nucleoside inhibitor binding pocket: lessons for inhibitor design from a cluster analysis of many crystal structures (English)

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9 February 2020

crystal structure

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based on heuristic

inferred from title

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based on heuristic

inferred from title

cluster analysis

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based on heuristic

inferred from title

4

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9 February 2020

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Kristina A Paris

1

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9 February 2020

Omar Haq

2

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9 February 2020

Anthony K Felts

3

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9 February 2020

Eddy Arnold

5

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9 February 2020

Ronald M Levy

6

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9 February 2020

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1 October 2009

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9 February 2020

Journal of Medicinal Chemistry

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9 February 2020

52

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9 February 2020

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9 February 2020

6413-6420

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9 February 2020

High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: strategic flexibility explains potency against resistance mutations

1 reference

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Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors

1 reference

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HIV-1 Reverse Transcriptase Structure with RNase H Inhibitor Dihydroxy Benzoyl Naphthyl Hydrazone Bound at a Novel Site

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6 September 2017

Crystal structures of clinically relevant Lys103Asn/Tyr181Cys double mutant HIV-1 reverse transcriptase in complexes with ATP and non-nucleoside inhibitor HBY 097.

1 reference

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6 September 2017

Application of 3D-QSAR techniques in anti-HIV-1 drug design--an overview

1 reference

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6 September 2017

In search of a novel anti-HIV drug: multidisciplinary coordination in the discovery of 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2- pyrimidinyl]amino]benzonitrile (R278474, rilpivirine).

1 reference

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6 September 2017

Crystallography and the design of anti-AIDS drugs: conformational flexibility and positional adaptability are important in the design of non-nucleoside HIV-1 reverse transcriptase inhibitors

1 reference

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6 September 2017

Structure of HIV-1 reverse transcriptase bound to an inhibitor active against mutant reverse transcriptases resistant to other nonnucleoside inhibitors.

1 reference

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6 September 2017

On the detection of multiple-binding modes of ligands to proteins, from biological, structural, and modeling data

1 reference

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6 September 2017

Steered molecular dynamics simulation on the binding of NNRTI to HIV-1 RT.

1 reference

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Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding

1 reference

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6 September 2017

The Protein Data Bank

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6 September 2017

Folding funnels, binding funnels, and protein function

1 reference

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6 September 2017

Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution

1 reference

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6 September 2017

S-1153 inhibits replication of known drug-resistant strains of human immunodeficiency virus type 1

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3182518

6 September 2017

Theory of protein folding: the energy landscape perspective

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6 September 2017

Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3182518

6 September 2017

From Levinthal to pathways to funnels

1 reference

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6 September 2017

Structure of unliganded HIV-1 reverse transcriptase at 2.7 A resolution: implications of conformational changes for polymerization and inhibition mechanisms

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3182518

6 September 2017

Crystal structure of human immunodeficiency virus type 1 reverse transcriptase complexed with double-stranded DNA at 3.0 A resolution shows bent DNA

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3182518

6 September 2017

Structure of HIV-1 reverse transcriptase in a complex with the non-nucleoside inhibitor alpha-APA R 95845 at 2.8 A resolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3182518

6 September 2017

Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors

1 reference

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High resolution structures of HIV-1 RT from four RT-inhibitor complexes

1 reference

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The structure of unliganded reverse transcriptase from the human immunodeficiency virus type 1

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Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

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Crystal structure at 3.5 A resolution of HIV-1 reverse transcriptase complexed with an inhibitor

1 reference

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Locations of anti-AIDS drug binding sites and resistance mutations in the three-dimensional structure of HIV-1 reverse transcriptase. Implications for mechanisms of drug inhibition and resistance

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Computational tools for the analysis and visualization of multiple protein-ligand complexes

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1 reference

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Inhibitor binding alters the directions of domain motions in HIV-1 reverse transcriptase

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Hierarchical clustering schemes

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https://pubmed.ncbi.nlm.nih.gov/19827836

12 December 2020

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10.1021/JM900854H

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9 February 2020

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