List of works - Kalyan Das

3D jigsaw puzzle in rotavirus assembly

scientific article published on 01 November 2008

A Conserved Structural Module Regulates Transcriptional Responses to Diverse Stress Signals in Bacteria

scientific article

A mutation in human immunodeficiency virus type 1 protease, N88S, that causes in vitro hypersensitivity to amprenavir

scientific article

A systematic approach to identify host targets and rapidly deliver broad-spectrum antivirals

scientific article published in 2022

Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics

scientific article

Alpha-carboxynucleoside phosphonates: direct-acting inhibitors of viral DNA polymerases

scientific article published on 16 January 2019

Antivirals Targeting Influenza A Virus ⬇️

scientific article published on 04 June 2012

Assembly and Cryo-EM structure determination of yeast mitochondrial RNA polymerase initiation complex intermediates

scientific article published on 31 March 2021

Concentration and pH dependent aggregation of hydrophobic drug molecules and relevance to oral bioavailability.

scientific article published in March 2005

Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.

scientific article published on 18 May 2016

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

Cryo-EM structures reveal transcription initiation steps by yeast mitochondrial RNA polymerase

scientific article published on 14 April 2020

Crystal Structure and Autoactivation Pathway of the Precursor Form of Human Tripeptidyl-peptidase 1, the Enzyme Deficient in Late Infantile Ceroid Lipofuscinosis

scientific article

Crystal Structure of tert -Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket

scientific article

Crystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA

scientific article

Crystal structure of peanut lectin, a protein with an unusual quaternary structure

scientific article

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

scientific article

Crystal structures of arginine deiminase with covalent reaction intermediates; implications for catalytic mechanism.

scientific article published in April 2004

Crystallographic Fragment Screening and Structure-Based Optimization Yields a New Class of Influenza Endonuclease Inhibitors

scientific article

Crystallographic Study of a Novel Subnanomolar Inhibitor Provides Insight on the Binding Interactions of Alkenyldiarylmethanes with Human Immunodeficiency Virus-1 Reverse Transcriptase

scientific article

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

scientific article

Design, synthesis, and SAR of a novel pyrazinone series with non-nucleoside HIV-1 reverse transcriptase inhibitory activity

scientific article

Developing and evaluating inhibitors against the RNase H active site of HIV-1 RT.

scientific article published on 11 April 2018

Drug resistance in non-B subtype HIV-1: impact of HIV-1 reverse transcriptase inhibitors

scientific article

Integrative structural biology studies of HIV-1 reverse transcriptase binding to a high-affinity DNA aptamer

scientific article published on 30 June 2020

Lamivudine (3TC) resistance in HIV-1 reverse transcriptase involves steric hindrance with beta-branched amino acids

scientific article

Linear Interaction Energy (LIE) Models for Ligand Binding in Implicit Solvent: Theory and Application to the Binding of NNRTIs to HIV-1 Reverse Transcriptase

scientific article published in January 2007

Molecular dynamics study of HIV-1 RT-DNA-nevirapine complexes explains NNRTI inhibition and resistance by connection mutations

scientific article

Molecular dynamics study of non-nucleoside reverse transcriptase inhibitor 4-[[4-[[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile (TMC278/rilpivirine) aggregates: correlation between amphiphilic properties of the d

scientific article published on October 2009

Negative-Strand RNA Virus L Proteins: One Machine, Many Activities.

scientific article published on July 2015

Phenyl substituted 4-hydroxypyridazin-3(2H)-ones and 5-hydroxypyrimidin-4(3H)-ones: inhibitors of influenza A endonuclease.

scientific article

Pronounced Inhibition Shift from HIV Reverse Transcriptase to Herpetic DNA Polymerases by Increasing the Flexibility of α-Carboxy Nucleoside Phosphonates

scientific article published on 09 October 2015

Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 V

article

Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening

scientific article published on 08 December 2021

Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.

scientific article

Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).

scientific article published on 28 March 2018

Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance

scientific article published on 10 April 2017

Structural basis of BLyS receptor recognition

scientific article

Structural basis of ECF-σ-factor-dependent transcription initiation

scientific article published in Nature Communications

Structural basis of HIV-1 resistance to AZT by excision

scientific article

Structural requirements for RNA degradation by HIV-1 reverse transcriptase.

scientific article published in December 2013

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

scientific article

Structure of HIV-1 RT/dsRNA initiation complex prior to nucleotide incorporation

article

Structure of HIV-1 reverse transcriptase bound to a novel 38-mer hairpin template-primer DNA aptamer

scientific article published on 21 August 2015

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

scientific article

Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes

scientific article published on 22 December 2018

Structure, mechanism, and regulation of mitochondrial DNA transcription initiation

scientific article published on 30 October 2020

Structures of RNA polymerase-antibiotic complexes

scientific article

Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance

scientific article

Structures of influenza A proteins and insights into antiviral drug targets.

scientific article

Synthesis of novel diarylpyrimidine analogues and their antiviral activity against human immunodeficiency virus type 1.

scientific article

Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues

scientific article published on 23 December 2020

The 2.35 A structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism

scientific article

The RNA polymerase "switch region" is a target for inhibitors

scientific article

The dynamic landscape of transcription initiation in yeast mitochondria

scientific article published on 27 August 2020

The hepatitis B virus polymerase mutation rtV173L is selected during lamivudine therapy and enhances viral replication in vitro.

scientific article published on November 2003

Trapping HIV-1 reverse transcriptase before and after translocation on DNA.

scientific article published on 28 January 2003

Two-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase

scientific article

X-ray crystal structure of MTH938 from Methanobacterium thermoautotrophicum at 2.2 A resolution reveals a novel tertiary protein fold

scientific article

List of works by Kalyan Das

3D jigsaw puzzle in rotavirus assembly

A Conserved Structural Module Regulates Transcriptional Responses to Diverse Stress Signals in Bacteria

A mutation in human immunodeficiency virus type 1 protease, N88S, that causes in vitro hypersensitivity to amprenavir

A systematic approach to identify host targets and rapidly deliver broad-spectrum antivirals

Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics

Alpha-carboxynucleoside phosphonates: direct-acting inhibitors of viral DNA polymerases

Antivirals Targeting Influenza A Virus ⬇️

Assembly and Cryo-EM structure determination of yeast mitochondrial RNA polymerase initiation complex intermediates

Concentration and pH dependent aggregation of hydrophobic drug molecules and relevance to oral bioavailability.

Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.

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.

Cryo-EM structures reveal transcription initiation steps by yeast mitochondrial RNA polymerase

Crystal Structure and Autoactivation Pathway of the Precursor Form of Human Tripeptidyl-peptidase 1, the Enzyme Deficient in Late Infantile Ceroid Lipofuscinosis

Crystal Structure of tert -Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket

Crystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA

Crystal structure of peanut lectin, a protein with an unusual quaternary structure

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

Crystal structures of arginine deiminase with covalent reaction intermediates; implications for catalytic mechanism.

Crystallographic Fragment Screening and Structure-Based Optimization Yields a New Class of Influenza Endonuclease Inhibitors

Crystallographic Study of a Novel Subnanomolar Inhibitor Provides Insight on the Binding Interactions of Alkenyldiarylmethanes with Human Immunodeficiency Virus-1 Reverse Transcriptase

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

Design, synthesis, and SAR of a novel pyrazinone series with non-nucleoside HIV-1 reverse transcriptase inhibitory activity

Developing and evaluating inhibitors against the RNase H active site of HIV-1 RT.

Drug resistance in non-B subtype HIV-1: impact of HIV-1 reverse transcriptase inhibitors

Integrative structural biology studies of HIV-1 reverse transcriptase binding to a high-affinity DNA aptamer

Lamivudine (3TC) resistance in HIV-1 reverse transcriptase involves steric hindrance with beta-branched amino acids

Linear Interaction Energy (LIE) Models for Ligand Binding in Implicit Solvent: Theory and Application to the Binding of NNRTIs to HIV-1 Reverse Transcriptase

Molecular dynamics study of HIV-1 RT-DNA-nevirapine complexes explains NNRTI inhibition and resistance by connection mutations

Molecular dynamics study of non-nucleoside reverse transcriptase inhibitor 4-[[4-[[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile (TMC278/rilpivirine) aggregates: correlation between amphiphilic properties of the d

Negative-Strand RNA Virus L Proteins: One Machine, Many Activities.

Phenyl substituted 4-hydroxypyridazin-3(2H)-ones and 5-hydroxypyrimidin-4(3H)-ones: inhibitors of influenza A endonuclease.

Pronounced Inhibition Shift from HIV Reverse Transcriptase to Herpetic DNA Polymerases by Increasing the Flexibility of α-Carboxy Nucleoside Phosphonates

Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 V

Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening

Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.

Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).

Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance

Structural basis of BLyS receptor recognition

Structural basis of ECF-σ-factor-dependent transcription initiation

Structural basis of HIV-1 resistance to AZT by excision

Structural requirements for RNA degradation by HIV-1 reverse transcriptase.

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

Structure of HIV-1 RT/dsRNA initiation complex prior to nucleotide incorporation

Structure of HIV-1 reverse transcriptase bound to a novel 38-mer hairpin template-primer DNA aptamer

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

Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes

Structure, mechanism, and regulation of mitochondrial DNA transcription initiation

Structures of RNA polymerase-antibiotic complexes

Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance

Structures of influenza A proteins and insights into antiviral drug targets.

Synthesis of novel diarylpyrimidine analogues and their antiviral activity against human immunodeficiency virus type 1.

Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues

The 2.35 A structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism

The RNA polymerase "switch region" is a target for inhibitors

The dynamic landscape of transcription initiation in yeast mitochondria

The hepatitis B virus polymerase mutation rtV173L is selected during lamivudine therapy and enhances viral replication in vitro.

Trapping HIV-1 reverse transcriptase before and after translocation on DNA.

Two-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase

X-ray crystal structure of MTH938 from Methanobacterium thermoautotrophicum at 2.2 A resolution reveals a novel tertiary protein fold