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Arnold E

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Publications:

Title Authors Year Journal
On the detection of multiple-binding modes of ligands to proteins, from biological, structural, and modeling data. Arnold E Journal of computer-aided molecular design
HIV-1 reverse transcriptase and antiviral drug resistance. Part 1. Arnold E 2013 Current opinion in virology
Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase. Arnold E 2013 Nature chemistry
Detecting allosteric sites of HIV-1 reverse transcriptase by X-ray crystallographic fragment screening. Arnold E 2013 Journal of medicinal chemistry
Molecular dynamics study of HIV-1 RT-DNA-Nevirapine complexes explains NNRTI inhibition, and resistance by connection mutations. Arnold E 2013 Proteins
Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Arnold E 2013 Bioorganic & medicinal chemistry letters
HIV-1 reverse transcriptase and antiviral drug resistance. Part 2. Arnold E 2013 Current opinion in virology
A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Arnold E 2012 Retrovirology
HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Arnold E 2012 Nature structural & molecular biology
Synthesis, activity, and structural analysis of novel α-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. Arnold E 2011 Journal of medicinal chemistry
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. Arnold E 2011 Journal of medicinal chemistry
Fragment Screening and HIV Therapeutics. Arnold E 2011 Topics in current chemistry
Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studies. Arnold E 2011 Journal of chemical information and modeling
Structural basis of HIV-1 resistance to AZT by excision. Arnold E 2010 Nature structural & molecular biology
Mutations in the thumb allow human immunodeficiency virus type 1 reverse transcriptase to be cleaved by protease in virions. Arnold E 2009 Journal of virology
Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site. Arnold E 2009 Structure (London, England : 1993)
Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase. Arnold E 2009 J Med Chem
Structural basis for the role of the K65R mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance. Arnold E 2009 The Journal of biological chemistry
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. Arnold E 2009 Journal of medicinal chemistry
Structure and function of HIV-1 reverse transcriptase: molecular mechanisms of polymerization and inhibition. Arnold E 2009 Journal of molecular biology
2'-deoxy-4'-C-ethynyl-2-halo-adenosines active against drug-resistant human immunodeficiency virus type 1 variants. Arnold E 2008 The international journal of biochemistry & cell biology
Two-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase. Arnold E 2008 Proceedings of the National Academy of Sciences of the United States of America
Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design. Arnold E 2008 Nucleic acids research
High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: strategic flexibility explains potency against resistance mutations. Arnold E 2008 Proceedings of the National Academy of Sciences of the United States of America
Synthesis of AZTpSpCX2ppSA and AZTpSpCX2ppSAZT: hydrolysis-resistant potential inhibitors of the AZT excision reaction of HIV-1 RT. Arnold E 2007 Organic letters
Synthesis, biological activity, and crystal structure of potent nonnucleoside inhibitors of HIV-1 reverse transcriptase that retain activity against mutant forms of the enzyme. Arnold E 2007 Journal of medicinal chemistry
Crystal structures of clinically relevant Lys103Asn/Tyr181Cys double mutant HIV-1 reverse transcriptase in complexes with ATP and non-nucleoside inhibitor HBY 097. Arnold E 2007 Journal of molecular biology
3'-Azido-3'-deoxythymidine-(5')-tetraphospho-(5')-adenosine, the product of ATP-mediated excision of chain-terminating AZTMP, is a potent chain-terminating substrate for HIV-1 reverse transcriptase. Arnold E 2007 Biochemistry
HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site. Arnold E 2006 ACS Chem Biol
Structural determinants of slippage-mediated mutations by human immunodeficiency virus type 1 reverse transcriptase. Arnold E 2006 The Journal of biological chemistry
Combining mutations in HIV-1 reverse transcriptase with mutations in the HIV-1 polypurine tract affects RNase H cleavages involved in PPT utilization. Arnold E 2006 Virology
Why do HIV-1 and HIV-2 use different pathways to develop AZT resistance? Arnold E 2006 PLoS Pathog
Crystal structures for HIV-1 reverse transcriptase in complexes with three pyridinone derivatives: a new class of non-nucleoside inhibitors effective against a broad range of drug-resistant strains. Arnold E 2005 J Med Chem
Synthesis of novel diarylpyrimidine analogues and their antiviral activity against human immunodeficiency virus type 1. Arnold E 2005 Journal of medicinal chemistry
4-Benzyl and 4-benzoyl-3-dimethylaminopyridin-2(1H)-ones: in vitro evaluation of new C-3-amino-substituted and C-5,6-alkyl-substituted analogues against clinically important HIV mutant strains. Arnold E 2005 Journal of medicinal chemistry
Design, synthesis, and SAR of a novel pyrazinone series with non-nucleoside HIV-1 reverse transcriptase inhibitory activity. Arnold E 2005 Journal of medicinal chemistry
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. Arnold E 2005 Progress in biophysics and molecular biology
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). Arnold E 2005 J Med Chem
Concentration and pH dependent aggregation of hydrophobic drug molecules and relevance to oral bioavailability. Arnold E 2005 J Med Chem
Identification of amino acid residues in the human immunodeficiency virus type-1 reverse transcriptase tryptophan-repeat motif that are required for subunit interaction using infectious virions. Arnold E 2005 Journal of molecular biology
Designing anti-AIDS drugs targeting the major mechanism of HIV-1 RT resistance to nucleoside analog drugs. Arnold E 2004 Int J Biochem Cell Biol
Effects of the Delta67 complex of mutations in human immunodeficiency virus type 1 reverse transcriptase on nucleoside analog excision. Arnold E 2004 J Virol
Taking aim at a moving target: designing drugs to inhibit drug-resistant HIV-1 reverse transcriptases. Arnold E 2004 Current opinion in structural biology
Correlations between factors determining the pharmacokinetics and antiviral activity of HIV-1 non-nucleoside reverse transcriptase inhibitors of the diaryltriazine and diarylpyrimidine classes of compounds. Arnold E 2004 Drugs in R&D
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 variants. Arnold E 2004 J Med Chem
Structures of HIV-1 RT-DNA complexes before and after incorporation of the anti-AIDS drug tenofovir. Arnold E 2004 Nature structural & molecular biology
Subunit-specific analysis of the human immunodeficiency virus type 1 reverse transcriptase in vivo. Arnold E 2004 J Virol
Nonnucleoside inhibitor binding affects the interactions of the fingers subdomain of human immunodeficiency virus type 1 reverse transcriptase with DNA. Arnold E 2004 J Virol
Effects of mutations in the G tract of the human immunodeficiency virus type 1 polypurine tract on virus replication and RNase H cleavage. Arnold E 2004 J Virol
Mutations in the 5' end of the human immunodeficiency virus type 1 polypurine tract affect RNase H cleavage specificity and virus titer. Arnold E 2003 J Virol
Molecular model of SARS coronavirus polymerase: implications for biochemical functions and drug design. Arnold E 2003 Nucleic acids research
The hepatitis B virus polymerase mutation rtV173L is selected during lamivudine therapy and enhances viral replication in vitro. Arnold E 2003 Journal of virology
Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues. Arnold E 2003 Journal of medicinal chemistry
Mutation of amino acids in the connection domain of human immunodeficiency virus type 1 reverse transcriptase that contact the template-primer affects RNase H activity. Arnold E 2003 J Virol
Steered molecular dynamics simulation on the binding of NNRTI to HIV-1 RT. Arnold E 2003 Biophysical journal
HIV-1 reverse transcriptase variants: molecular modeling of Y181C, V106A, L100I, and K103N mutations with nonnucleoside inhibitors using Monte Carlo simulations in combination with a linear response method. Arnold E 2003 Drug design and discovery
A novel mechanism for inhibition of HIV-1 reverse transcriptase. Arnold E 2002 Bioorganic chemistry
Structures of HIV-1 reverse transcriptase with pre- and post-translocation AZTMP-terminated DNA. Arnold E 2002 The EMBO journal
Mutations in the RNase H domain of HIV-1 reverse transcriptase affect the initiation of DNA synthesis and the specificity of RNase H cleavage in vivo. Arnold E 2002 Proceedings of the National Academy of Sciences of the United States of America
Nucleoside analog resistance caused by insertions in the fingers of human immunodeficiency virus type 1 reverse transcriptase involves ATP-mediated excision. Arnold E 2002 J Virol
The M184V mutation reduces the selective excision of zidovudine 5'-monophosphate (AZTMP) by the reverse transcriptase of human immunodeficiency virus type 1. Arnold E 2002 J Virol
Evolution of anti-HIV drug candidates. Part 2: Diaryltriazine (DATA) analogues. Arnold E 2001 Bioorganic & medicinal chemistry letters
Evolution of anti-HIV drug candidates. Part 1: From alpha-anilinophenylacetamide (alpha-APA) to imidoyl thiourea (ITU). Arnold E 2001 Bioorganic & medicinal chemistry letters
Selective excision of AZTMP by drug-resistant human immunodeficiency virus reverse transcriptase. Arnold E 2001 J Virol
Molecular dynamics of HIV-1 reverse transcriptase indicates increased flexibility upon DNA binding. Arnold E 2001 Proteins
HIV-1 reverse transcriptase mutations found in a drug-experienced patient confer reduced susceptibility to multiple nucleoside reverse transcriptase inhibitors. Arnold E 2001 Antiviral therapy
Evolution of anti-HIV drug candidates. Part 3: Diarylpyrimidine (DAPY) analogues. Arnold E 2001 Bioorganic & medicinal chemistry letters
Nonnucleoside reverse transcriptase inhibitors are chemical enhancers of dimerization of the HIV type 1 reverse transcriptase. Arnold E 2001 Proceedings of the National Academy of Sciences of the United States of America
Crystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA. Arnold E 2001 The EMBO journal
The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance. Arnold E 2001 Journal of molecular biology
RNase H cleavage of the 5' end of the human immunodeficiency virus type 1 genome. Arnold E 2001 J Virol
YADD mutants of human immunodeficiency virus type 1 and Moloney murine leukemia virus reverse transcriptase are resistant to lamivudine triphosphate (3TCTP) in vitro. Arnold E 2001 J Virol
Molecular modeling and biochemical characterization reveal the mechanism of hepatitis B virus polymerase resistance to lamivudine (3TC) and emtricitabine (FTC). Arnold E 2001 J Virol
Analysis of mutations at positions 115 and 116 in the dNTP binding site of HIV-1 reverse transcriptase. Arnold E 2000 Proceedings of the National Academy of Sciences of the United States of America
The role of steric hindrance in 3TC resistance of human immunodeficiency virus type-1 reverse transcriptase. Arnold E 2000 Journal of molecular biology
Touching the heart of HIV-1 drug resistance: the fingers close down on the dNTP at the polymerase active site. Arnold E 1999 Chemistry & biology
Major subdomain rearrangement in HIV-1 reverse transcriptase simulated by molecular dynamics. Arnold E 1999 Proteins
Similarities and differences in the RNase H activities of human immunodeficiency virus type 1 reverse transcriptase and Moloney murine leukemia virus reverse transcriptase. Arnold E 1999 Journal of molecular biology
Lamivudine (3TC) resistance in HIV-1 reverse transcriptase involves steric hindrance with beta-branched amino acids. Arnold E 1999 Proceedings of the National Academy of Sciences of the United States of America
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. Arnold E 1998 Journal of molecular biology
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. Arnold E 1998 Journal of molecular biology
Effects of mutations in the polymerase domain on the polymerase, RNase H and strand transfer activities of human immunodeficiency virus type 1 reverse transcriptase. Arnold E 1998 Journal of molecular biology
Protein-nucleic acid interactions and DNA conformation in a complex of human immunodeficiency virus type 1 reverse transcriptase with a double-stranded DNA template-primer. Arnold E 1997 Biopolymers
An in vivo mutation from leucine to tryptophan at position 210 in human immunodeficiency virus type 1 reverse transcriptase contributes to high-level resistance to 3'-azido-3'-deoxythymidine. Arnold E 1996 Journal of virology
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. Arnold E 1996 Journal of molecular biology
Use of chimeric human immunodeficiency virus types 1 and 2 reverse transcriptases for structure-function analysis and for mapping susceptibility to nonnucleoside inhibitors. Arnold E 1996 Journal of acquired immune deficiency syndromes and human retrovirology : official publication of the International Retrovirology Association
Structure of unliganded HIV-1 reverse transcriptase at 2.7 A resolution: implications of conformational changes for polymerization and inhibition mechanisms. Arnold E 1996 Structure (London, England : 1993)
Selective pressure of a quinoxaline nonnucleoside inhibitor of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) on HIV-1 replication results in the emergence of nucleoside RT-inhibitor-specific (RT Leu-74-->Val or Ile and Val-75-->Leu or Ile) HIV-1 mutants. Arnold E 1996 Proceedings of the National Academy of Sciences of the United States of America
Targeting HIV reverse transcriptase for anti-AIDS drug design: structural and biological considerations for chemotherapeutic strategies. Arnold E 1996 Drug design and discovery
Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors. Arnold E 1995 Nat Struct Biol
Molecular modeling studies of HIV-1 reverse transcriptase nonnucleoside inhibitors: total energy of complexation as a predictor of drug placement and activity. Arnold E 1995 Protein science : a publication of the Protein Society
Emergence of human immunodeficiency virus type 1 variants with resistance to multiple dideoxynucleosides in patients receiving therapy with dideoxynucleosides. Arnold E 1995 Proceedings of the National Academy of Sciences of the United States of America
An expanded model of replicating human immunodeficiency virus reverse transcriptase. Arnold E 1995 Biochemistry
Structures of DNA and RNA polymerases and their interactions with nucleic acid substrates. Arnold E 1995 Current opinion in structural biology
Insights into DNA polymerization mechanisms from structure and function analysis of HIV-1 reverse transcriptase. Arnold E 1995 Biochemistry
Novel mutations in reverse transcriptase of human immunodeficiency virus type 1 reduce susceptibility to foscarnet in laboratory and clinical isolates. Arnold E 1995 Antimicrob Agents Chemother
Crystallization of human immunodeficiency virus type 1 reverse transcriptase with and without nucleic acid substrates, inhibitors, and an antibody Fab fragment. Arnold E 1995 Methods in enzymology
Identification of a pharmacophore for nucleoside analog inhibitors directed at HIV-1 reverse transcriptase. Arnold E 1994 Journal of molecular recognition : JMR
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. Arnold E 1994 Journal of molecular biology
A computer-assisted analysis of conserved residues in the three-dimensional structures of the polymerase domains of Escherichia coli DNA polymerase I and HIV-1 reverse transcriptase. Arnold E 1994 The Journal of biological chemistry
Mutational analysis of the fingers and palm subdomains of human immunodeficiency virus type-1 (HIV-1) reverse transcriptase. Arnold E 1994 Journal of molecular biology
Sensitivity of wild-type human immunodeficiency virus type 1 reverse transcriptase to dideoxynucleotides depends on template length; the sensitivity of drug-resistant mutants does not. Arnold E 1994 Proceedings of the National Academy of Sciences of the United States of America
Buried surface analysis of HIV-1 reverse transcriptase p66/p51 heterodimer and its interaction with dsDNA template/primer. Arnold E 1994 Journal of molecular recognition : JMR
Subunit specificity of mutations that confer resistance to nonnucleoside inhibitors in human immunodeficiency virus type 1 reverse transcriptase. Arnold E 1994 Antimicrobial agents and chemotherapy
Structure of HIV-1 reverse transcriptase/DNA complex at 7 A resolution showing active site locations. Arnold E 1992 Nature
Crystals of a ternary complex of human immunodeficiency virus type 1 reverse transcriptase with a monoclonal antibody Fab fragment and double-stranded DNA diffract x-rays to 3.5-A resolution. Arnold E 1991 Proceedings of the National Academy of Sciences of the United States of America
HIV reverse transcriptase structure-function relationships. Arnold E 1991 Biochemistry
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