Publications

 

2009

85. Das, Kalyan, Bandwar, R.P., White, K.L., Feng, J.Y., Sarafianos, S.G., Tuske, S., Tu, X., Clark, Jr., A.D., Boyer, P.L., Hou, X., Gaffney, B.L., Jones, R.A., Miller, M.D., Hughes, S.H., Arnold, E. (2009). J. Biol. Chem. In press. ÒStructural basis for the role of the K65R mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance.Ó [Abstract]

84.  Linda L. Dunn, L.L., McWilliams, M.J., Das, Kalyan, Arnold, E., H. Hughes, S.H. (2009). J. Virol. 83:12336-12344. ÒMutations in the thumb allow HIV-1 RT to be cleaved by protease in virions.Ó [Abstract]

83. Paris, K.A., Haq, O., Felts, A.K., Das, Kalyan, Arnold, E., Levy, R.M. (2009). J. Med. Chem. 52:6413-6420. ÒConformational 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.Ó [Abstract]

82.  Cullen, M.D., Ho. W.C., Bauman, J.D., Das, Kalyan, Arnold, E., Hartman, T.L., Watson, K.M., Buckheit, Jr., R.W., Pannecouque, C., De Clercq, E., Cushman, M. (2009). J. Med. Chem. 52:6467-6473. ÒCrystallographic Study of a Novel Subnanomolar Inhibitor Provides Insight on the Binding Interactions of Alkenyldiarylmethanes with Human Immunodeficiency Virus-1 Reverse Transcriptase.Ó [Abstract]

81.  Frenkel, Y.V, Gallicchio, E., Das, Kalyan, Levy, R.M., Arnold, E. (2009). J. Med. Chem. 52:5896-5905. ÒMolecular 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 drug and oral bioavailability.Ó [Abstract]

80.  Guhaniyogi, J., Sohar, I., Das, Kalyan, Stock, A.M., Lobel, P. (2009). J. Biol. Chem. 284:3985-3997. ÒCrystal Structure and Autoactivation Pathway of the Precursor Form of Human Tripeptidyl-peptidase 1, the Enzyme Deficient in Late Infantile Ceroid Lipofuscinosis.Ó [Full Text]

79.  Sarafianos, S.G., Marchand, B., Das, Kalyan, Himmel, D.M., Parniak, M.A., Hughes, S.H., Arnold, E. (2009). J. Mol. Biol. 385:693-713. ÒStructure and function of HIV-1 reverse transcriptase: molecular mechanisms of polymerization and inhibition.Ó [Abstract]

 

2008

78.  Das, Kalyan, Ma, L.-C., Xiao, R., Radvansky, B., Aramini, J., Zhao, L. , Marklung, J., Kuo, R.-L., Twu, K., Arnold, E., Krug, R., Montelione, G. (2008). Proc. Natl. Acad. Sci. USA. 105:13092-13097. ÒStructural basis for suppression of a host antiviral response by influenza A virus.Ó [Free access paper]

77.  Mukhopadhyay, J., Das, Kalyan, Ismail, S., Koppstein, D., Jang, M., Hudson, B., Sarafianos, S., Tuske, S., Patel, J.,  Jansen, R., Hšfle, G., Arnold, E., Ebright, R.H. (2008). Cell 135:295-307. ÒThe RNA Polymerase ÒSwitch RegionÓ is a Target for Inhibitors.Ó [Abstract]

76.  Das, Kalyan, Bauman, J.D., Clark Jr., A.D., Frenkel, Y.V., Lewi, P.J., Shatkin, A.J., Hughes, S.H., Arnold, E. (2008). Proc. Natl. Acad. Sci. USA. 105:1466-1471. ÒHigh-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: strategic flexibility explains potency against resistance mutations.Ó [Free access paper] [C&E News review]

75.  Shatkin, A., Das, Kalyan, Arnold, E. (2008). Structure 16:1601-1602. Ò3D Jigsaw Puzzle in Rotavirus Assembly.Ó [Summary]

74.  Bauman, J.D., Das, Kalyan, Ho, W.C., Baweja, M., Himmel, D.M., Clark, Jr, A.D., Boyer, P.L., Hughes, S.H., and Arnold, E. (2008). Nucleic Acid Res. 36:5083-5092. ÒCrystal engineering of HIV-1 reverse transcriptase for structure-based drug design.Õ [Free access paper]

73.  Fang, C., Bauman, J.D., Das, Kalyan, Remorino, A., Arnold, E., Hochstrasser, R.M. (2008). Proc. Natl. Acad. Sci. USA. 105:1472-1477.  ÒTwo-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase.Ó [Abstract]

 

2007

72.  Das, Kalyan, Sarafianos, S.G., Clark, Jr, A.D., Boyer, P.L., Hughes, S.H., Arnold, E. (2007). J. Mol. Biol. 365:77-89. ÒCrystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.Ó [Abstract]

71.  Campbell, E.A., Greenwell, R., Anthony, J.R., Wang, S., Lim, L., Das, Kalyan, Sofia, H.J., Donohue, T.J. and Darst, S.A. (2007). Mol. Cell 27:793-805. ÒA Conserved Structural Module Regulates Transcriptional Responses to Diverse Stress Signals in Bacteria.Ó [Abstract]

70.  Himmel, d.M., Das, Kalyan, Clark, Jr., A.D., Hughes, S.H., Benjahad, A., Oumouch, S., Guillemont, J., Coupa, S., Poncelet, A., Csoka, I., Meyer, C., Andries, K., Nguyen, C.H., Grierson, D.S., Arnold, E. (2005). J. Med. Chem., 248:7582–7591. ÒCrystal 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.Ó [Abstract]

69.  Su, Y., Gallicchio, E., Das, Kalyan, Arnold, E., and Levy, R.M. (2007). J. Chem. Theory Comput. 3:256-277. ÒLinear Interaction Energy (LIE) Models for Ligand Binding in Implicit Solvent: Theory and Application to the Binding of NNRTIs to HIV-1 Reverse Transcriptase.Ó [Abstract]

68.  Morningstar, M.L., Roth, T., Farnsworth, D.W., Smith, M.K., Watson, K., Buckheit, Jr. R.W., R.W., Das, Kalyan, Zhang, W., Arnold, E., Julias, J.G., Hughes, S.H., and Michejda, C.J. (2007).  J. Med. Chem. 50:4003-4015. ÒSynthesis, Biological Activity, and Crystal Structure of Potent Nonnucleoside Inhibitors of HIV-1 Reverse Transcriptase That Retain Activity against Mutant Forms of the Enzyme.Ó [Abstract]

 

2005

  1.  Das, Kalyan, Lewi, P.J., Hughes, S.H, Arnold, E. (2005).  Prog. Biophy. Mol. Biol. 88:209-231. ÒCrystallography 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.Ó [Abstract]
  1.  Frenkel, Y.V., Clark, Jr. A.D., Das, Kalyan, Wang, Y-H, Lewi, P., Janssen, P.A.J., and Arnold, E. (2005). J. Med. Chem. 48:1974-1983. ÒConcentration and pH Dependent Aggregation of Hydrophobic Drug Molecules and Relevance to Oral Bioavailability.Ó [Abstract]
  1.  Janssen, P.A.J, Lewi, P.J, Arnold, E., Daeyaert, F., de Jonge, M., Heeres, J., Koymans, L., Vinkers, M., Guillemont, J., Pasquier, E., Kukla, M., Ludovici, D., Andries, K., de B_thune, M-P, Pauwels, R., Das, Kalyan, Clark Jr., A.D., Frenkel, Y.V., Hughes, S.H., Medaer, B., De Knaep F., Bohets, H., De Clerck, F., Lampo A., Williams, P. and Stoffels, P. (2005). J. Med. Chem. 48:1901-1909. ÒIn search of a novel anti-HIV drug: multidisciplinary coordination in the discovery of 4-[[4-[[4-[(1E)-2-cyanoetenyl]-2-6-dimethylphenyl]amino]-2-pyrimidinyl]amino]-benzonitrile (R278474-rilpivirine).Ó [Abstract]
  1.  Heeres, J., Jonge, M.R., Koymans, L.M.H., Daeyaert, F.F.D., Vinkers, M., Van Aken, K.J.A., Arnold, E., Das, Kalyan, Kilonda, A., Hoornaert, G.J., Compernolle, F., Cegla, M., Azzam, R.A., Andries, K., de B_thune, M.-P., Azijn, H., Pauwels, R., Lewi, P.J, and Janssen, P.A.J. (2005). J. Med. Chem. 48:1910-1918. ÒDesign, Synthesis, and SAR of a Novel Pyrazinone Series with Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitory Activity.Ó [Abstract]
  1.  Guillemont, J., Pasquier, E., Palandjian, P., Vernier, D., Gaurrand, S., Lewi, P.J., Heeres, J., de Jonge, M.R., Koymans, L.M.H., Daeyaert, F.F.D., Vinkers, M.H., Arnold, E., Das, Kalyan, Pauwels, R., Andries, K., de B_thune, M.-P., Eva Bettens, E., Hertogs, K., Wigerinck, P., Timmerman, P., and Janssen, P.A.J. (2005). J. Med. Chem. 48:2072-2079. ÒSynthesis of Novel Diarylpyrimidine Analogues and Their Antiviral Activity against Human Immunodeficiency Virus Type 1.Ó [Abstract]
  1.  Benjahad, A., Croisy, M., Monneret, C., Bisagni, E., Mabire, D., Coupa, S., Poncelet, A., Csoka, I., Guillemont, J., Meyer, C, Andries, K., Pauwels, R., de B_thune, M-P., Himmel, D.M., Das, Kalyan, Arnold, E., Nguyen, C.H., and Grierson, D.S. (2005).  J. Med. Chem., 48:1948-1964. Ò4-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.Ó [Abstract]

61. Benach, J., Edstrom, W.C., Lee I., Das Kalyan, Cooper B., Xiao R., Liu J., Rost B., Acton T.B., Montelionel G.T., Hunt J.F. (2005). Acta Cryst. D61:589-598. ÒThe 2.35 A structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism.Ó [Abstract]

 

2004

  1. Sarafianos, S.G., Das, Kalyan, Hughes, S.H., Arnold, E. (2004). Cur. Oppn. Struc. Biol. 14:716-730. ÒTaking aim at a moving target: designing drugs to inhibit drug-resistant HIV-1 reverse transcriptase.Ó [Abstract]
  1. Das, Kalyan, Acton, T., Chiang, Y., Shih, L., Arnold, E., and Montelione, G.T. (2004). Proc. Natl. Acad. Sci. USA. 101:4041-4046. ÒCrystal. Structure of RlmAI: Implications for Understanding the 23S rRNA G745/G748-Methylation at the Macrolide Antibiotic Binding Site.Ó[Abstract]
  1. Das, Kalyan, Butler, G.H., Kwiatkowski, V., Clark, Jr._ A.D.Jr, Yadav, P., Arnold, E. (2004).  Structure (Camb.). 12:657-667.  ÒCrystal Structures of Arginine Deiminase with Covalent Reaction Intermediates: Implications for Catalytic Mechanism.Ó [Abstract]
  1. Das, Kalyan , Clark, Jr., A.D., Lewi, P., Heeres, J., de Jonge, M., Koymans, L., Vinkers, M., Daeyaert, F., Ludovici, D.W.,_ Kukla, M.J., De Corte, B., Kavash, R.W., Ho, C., Ye, H., Lichtenstein, M.A.,_ Andries, K., Pauwels, R., de B_thune, M.-P., Boyer, P.L., Clark, P., Hughes, S.H., Janssen, P.A.J., and Arnold. E. (2004).  J. Med. Chem. 47:2550-2560. ÒRoles 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.Ó [Abstract], [C&E News Review]
  1. Das, Kalyan, Sarafianos, S.G., Hughes, S.H., Arnold, E. (2004).  Encyclo. Biol. Chem. 2:388-392. ÒStructural Studies of HIV-1 Reverse Transcriptase (RT).Ó
  1. Lewi, P.; Arnold, E.; Andries, K.; Bohets, H.; Borghys H.; Clark, A. D., Jr.; Daeyaert F.; Das, Kalyan; de B_thune M.-P.; de Jonge, M.; Heeres, J.; Koymans, L. ; Leempoels, J.; Peeters, J.; Timmerman, Ph.; Van den Broeck, W. ; Vanhoutte, F.; van 't Klooster, G.; Vinkers, M.; Volovik, Y.; Janssen, P. A. J. (2004). Drugs R & D. 5:245-257. ÒCorrelations between Factors Determining the pharmacokinetics and Antiviral Activity of HIV-1 non-nucleoside reverse transcriptase inhibitors of the Diaryltriazine and Diarylpyrimidine classes of compounds.Ó [Abstract]

 

2003

  1. Delaney IV, W.E., Yang, H., Westland, C.E., Das, Kalyan, Arnold, E., Gibbs, C.S., Miller, M.D., and Xiong, S. (2003).  J. Virol. 77:11833-11841. ÒThe Hepatitis B Virus Polymerase Mutation rtV173L is Selected During Lamivudine Therapy and Enhances Viral Replication In Vitro.Ó  [Abstract]
  1. Lewi P.J., de Jonge M., Daeyaert F., Koymans L., Vinkers M., Heeres J., Janssen P.A., Arnold E., Das Kalyan, Clark A.D. Jr., Hughes S.H., Boyer P.L., de Bethune M.P., Pauwels R., Andries K., Kukla M., Ludovici D., De Corte B., Kavash R., Ho C. (2003). J. Comput. Aided. Mol. Des. 17:129-134. ÒOn the detection of multiple-binding modes of ligands to proteins, from biological, structural, and modeling data.Ó [Abstract]
  1. Sarafianos, S.G., Clark A.D. Jr, Tuske S., Squire C.J., Das Kalyan, Sheng D., Ilankumaran P., Ramesha A.R., Kroth H., Sayer J.M., Jerina D.M., Boyer P.L., Hughes S.H., Arnold E. (2003).  J. Biol. Chem., 278:16280-16288. ÒTrapping HIV-1 reverse transcriptase before and after translocation on DNA.Ó [Abstract]

 

2002

  1. Das Kalyan, Sarafianos, S., Ding, J., Tuske, S., Cark, A.D.Jr., Boyer, P.L., Clark, P., Hughes, S.H., Arnold, E.  (2002).  International Antiviral News 9:177-180. ÒComing of age: a decade of HIV-1 reverse transcriptase structures.Ó
  1. Sarafianos, S.G., A.D. Clark Jr., Das, Kalyan, Tuske, S., Ilankumaran, P., Ramesha, A.R., Sayer, J.M., Jerina, D.M., Boyer, P.L., Hughes, S.H., and Arnold, E.  (2002).  EMBO J. 21:6614-6624.  ÒStructures of HIV-1 reverse transcriptase with pre- and post-translocation AZTMP-terminated DNAÓ. [Abstract]
  1. Oren, D.A., Li, Y., Volovik, Y., Morris, T.S., Dharia,C., Das, Kalyan, Galperina, O., Gentz, R., and Arnold, E.. (2002).  Nat. Struct. Biol. 9:288-292. ÒStructural basis of BLyS receptor recognition.Ó [Abstract]

 

2001

  1. Das, Kalyan, Xiong, X., Yang, H., Westland, C.E., Gibbs, C.S., Sarafianos, S.G., and Arnold E. (2001). J. Virol. 75:4771-4779.  ÒMolecular Modeling and Biochemical Characterization Reveal the Mechanism of Hepatitis B Virus Polymerase Resistance to Lamivudine (3TC) and Emtricitabine (FTC).Ó [Abstract]
  1. Das, Kalyan, Xiao, R., Wahlberg, E., Hsu, F., Arrowsmith, C.H., Motelione, G, and Arnold, E. (2001). Proteins: Structure, Function and Genetics, 45, 486-488.  ÒX-ray Crystal structure of MTH938 from Methanobacterium thermoautotrophicum at 2.2 _ resolution reveals a novel tertiary protein fold.Ó [Abstract]
  1. Ludovici D.W., De Corte B.L., Kukla MJ, Ye H, Ho C.Y., Lichtenstein M.A., Kavash RW, Andries K, deBethune M, Azijn H, Pauwels R, Lewi P.J., Heeres J, Koymans L.M., de Jonge M.R., Van Aken K.J., Daeyaert F.F., Das Kalyan, Arnold E., Janssen P.A. (2001).  Bioorg. Med. Chem. Lett. 11:2235-2239.  ÒEvolution of anti-HIV drug candidates. Part 3: diarylpyrimidine (DAPY) analogues.Ó [Abstract]
  1. Ludovici D.W., Kavash R.W., Kukla M.J., Ho C.Y., Ye H., De Corte B.L., Andries K., de Bethune M., Azijn H., Pauwels R., Moereels H.E., Heeres J., Koymans L.M., de Jonge M.R., Van Aken K.J., Daeyaert F.F., J Lewi P., Das Kalyan, Arnold E., Janssen P.A.  (2001).  Bioorg. Med. Chem. Lett. 11:2229-2234.  ÒEvolution of anti-hiv drug candidatespart 2: diaryltriazine (DATA) analogues.Ó [Abstract]
  1. Sarafianos, S.G., Das, Kalyan, Tantillo, C., Clark, A.C. Jr, Ding, Jeannette M. Whitcomb, J.M., Boyer, P.L., Hughes S.H., and Arnold, E. (2001).  EMBO J. 26:1449-1461.  ÒCrystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA.Ó [Abstract]
  1. Hsiou, Y., Ding, J., Das, Kalyan, Clark, Jr., A.D., Boyer, P.L., Lewi, P., Janssen, P.A.J., Kleim, J.-P.,Rosner, M., Hughes, S.H., and Arnold, E. (2001). J. Mol. Biol. 309:437-445.   ÒThe Lys103Asn Mutation of HIV-1 RT: A Novel Mechanism of Drug Resistance.Ó [Abstract]
  1. Fitzgibbon, J.E., Dicola, M.B., Arnold, E., Das,Kalyan, Sha, B.E., Pottage, J., Nahass, R., S. Gaur, S., and John Jr., J.F.  (2001).  Antiviral Therapy 6:231-238. ÒHIV-1 reverse transcriptase mutations found in a drug-experienced patent confer reduced subceptibility to multiple nucleoside reverse transcriptase inhibitors.Ó [Abstract]

 

2000

  1. Ziermann, R., Limoli, K., Das, Kalyan, Arnold, E., Petropoulos, C.J., and Parkin, N.T. (2000).  J. Virol. 74, 4414-4419 (2001). "A mutation in human immunodeficiency virus type 1 protease, N88S, that causes In vitro hypersensitivity to amprenavir." [Abstract]

 

1999

  1. Sarafianos, S.G., Das, Kalyan, Clark Jr, A.D., Ding, J., Boyer, P.L., Hughes, S.H. and Arnold, E. (1999). Proc. Natl. Acad. Sc. 96:10027-10032.  "Lamivudine (3TC) resistance in HIV-1 reverse transcriptaseinvolves steric hinderance with beta-branched amino acids." [Abstract]
  1. Sarafianos, S.G., Das, Kalyan, Ding, J., Boyer, P.L., Hughes, S.H. and Arnold, E. (1999).  Chemistry & Biology, 6:R137-R146.  "Touching the heart of HIV-1 resistance: the fingers close down on the dNTP at the polymerase active site."_ [Abstract]

 

1998

  1. Ding, J., Das, Kalyan, Hsiou, Y., Sarafianos, S.G., Clark, Jr., A.D., Jacobo-Molina, A., Tantillo, C., Hughes, S.H., and Arnold, E. (1998). J. Mol. Biol., 284:1095-1111.  "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." [Abstract]
  1. Hsiou, Y., Das, Kalyan, Ding, J., Clark Jr., A., Kleim, J.-P., Roesner, M., Winkler, I., Riess, G., Boyer, P., Hughes, S.H., Arnold., E. (1998). J. Mol. Biol., 284:313-323.  "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." [Abstract]
  1. Yadav, P.N.S., Das, Kalyan, Ding, J., Arnold, E., Yadav, J.S., and Modak, M.J. (1998). THEOCHEM, 423:101-112.  "Structure-based design of inhibitors of HIV-1 reverse transcriptase: a potential class of bidentate nonnucleoside inhibitors."
  1. Suresh Kumar, E.V.K., Singh, J.D., Singh, H.B., Das, Kalyan, Yakhmi, J.V., Butcher, J.R. (1998)._ J. Chem. Soc., Perkin Trans. 1, 1769-1778._ ÒDithiaheterocycle-annelated tetrathiafulvalene -donors: a structure-property correlation study.Ó [Abstract]

 

1997

  1. Sarafianos, S.G., Das, Kalyan, Ding, J., Hsiou, Y., Hughes, S.H., and Arnold. E. (1997). In Recent Advances in Chemistry and Structure-Active Relationship, Proceedings of 2nd International Symposium, Ed. Bentley, P.H., and O'Hanlon, P.J. The Royal Society of Chemistry, Cambridge, England. 23, 328-334. " Mechanism of HIV-1 reverse transcriptase inhibition by nonnucleoside inhibitors."
  1. Ding, J., Das, Kalyan, Yadav, P.N.S., Hsiou, Y., Zhang, W., Hughes, S.H., and Arnold, E. (1997). In Structure-Based Drug Design, Ed. P. Veerapandian, Marcel Dekker, New York. pp. 41-82 . "Structural studies of HIV-1 reverse transcriptase and implications for Drug Deign."
  1. Kumar, E.V.K.S., Singh, J.D., Singh, H.B., Das, Kalyan, and Verghese, B. (1997). Tetrahedron, 53, 11627-11644.  "Synthesis of Some Functional Isomeric Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and Dithiophenetetrathiafulvalene (DTTTF) p-Donors."
  1. Menon, S.C., Singh, H.S., Patel, P.P., Das, Kalyan, and Butcher, R.J. (1997).  Organometallics, 16, 563-571.  "Synthesis and Reactivity of Chiral Tellurium Azomethines:  Pseudopolymorphism of [o-((((1S,2R)-2-Hydroxy-2-phenyl-1-methylethyl)amino)-methinyl)phenyl]tellurium(IV) Bromide." [Abstract]

 

1996

  1. Das, Kalyan, Ding, J., Hsiou, Y., Clark, A.D.Jr., Moereels, H., Koymans, L., Andries, K., Pauwels, R., Janssen, P.A.J., Boyer, P.L., Clark, P., Smith, R., Smith., M.B.K., Michejda, C.J., Hughes, S.H., and Arnold, E. (1996).  J. Mol. Biol., 264, 1085-1100. "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." [Abstract]
  1. Hsiou, Y., Ding, J., Das, Kalyan, Clark, A. D., Jr., Hughes, S. H. & Arnold, E. (1996). Structure, 4, 853-860. "Structure of unliganded HIV-1 reverse transcriptase at 2.7 _ resolution: implications of conformational changes for polymerization and inhibition mechanisms." [Abstract]
  1. Arnold, E., Das, Kalyan, Ding, J., Yadav, P.N.S., Hsiou, Y., Boyer, P.L., and Hughes, S. H. (1996). Drug Design and Discovery, 13:29-47. "Targeting HIV reverse transcriptase for anti-AIDS drug design: Structural and virological considerations for chemotherapic strategies." [Abstract]
  1. Banerjee, R., Das, Kalyan, Ravishanker, R., Suguna, K., Surolia, A., and Vijayan, M. (1996). J. Mol. Biol., 259, 281-296. "Conformation, protein-carbohydrate interactions and a novel subunit association in the refined structure of peanut lectin-lactose complex." [Abstract]

 

1995

  1. Hsiou, Y., Das, Kalyan, Ding, J., Tantillo, C., Boyer, P.L., Hughes, S.H., and Arnold E. (1995). Med. Biol. Environn. 23:209 -215. "The role of nucleic acid in the resistance of HIV-1 reverse transcriptase to nucleoside and nonnucleoside inhibitors." [Abstract]
  1. Smith, M. B. K., Rouzer, C. A., Taneyhill, L.A., Smith, N. A., Hughes, S. H., Boyer, P. L., Janssen, P. A. J., Moereels, H., Koymans, L., Arnold, E., Ding, J., Das, Kalyan, Zhang, W., Michejda, C. J., and Smith, R. H., Jr. (1995). Protein Science, 4, 2203-2222. "Molecular modeling studies of HIV-1 reverse transcriptase nonnucleoside inhibitors: Total energy of complexation as a predictor of drug placement and activity." [Abstract]
  1. Ding, J., Das, Kalyan, Moereels, H., Koymans, L., Andries, K., Janssen, P.A.J., Hughes, S.H., and Arnold, E. (1995). Nature Structural Biology, 2, 407-415. "Structure of HIV-1 RT/TIBO R86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors." [Abstract]
  1. Ding, J., Das, Kalyan, Tantillo, C., Zhang, W., Clark, A.D., Jr., Jessen, S., Lu, X., Hsiou, Y., Jacobo-Molina, A., Andries, K., Pauwels, R., Moereels, H., Koymans, L., Janssen, P.A.J., Smith, R., Koepke, M.K., Michejda, C., Hughes, S.H., and Arnold, E. (1995). Structure, 3, 365-379 (1995). "Structure of HIV-1 reverse transcriptase in a complex with the nonnucleoside inhibitor a- APA R95845 at 2.8  resolution." [Abstract]
  1. Singh D. J., Singh, H.B., Das, Kalyan, and Sinha, U. (1995). J. Chem. Research (S), 312-313, J. Chem. Research (M), 1913-1926.  "Facile S-Monodemethylation of 3,4,5-Tris(methylsulfanyl) -1,2-dithiolium Iodide:  Crystal and Molecular Structure of the obtained 4,5-Bis(methylsulfanyl)-1,2-dithiol-3-thione."

 

1994

  1. Banerjee, R., Das, Kalyan, Ganesh, V., Banerjee, P., Surolia, A., and Vijayan, M. (1994). Acta Crystollagr., C50, 1726-1728. "1-O-(2-Iodophenyl)-b-D-galactopyranose."
  1. Banerjee, R., Mande, S.C., Ganesh, V., Das, Kalyan, Dhanaraj, V., Mahanta, S.K., Suguna, K., Sorolia, A., and Vijayan, M. (1994). Proc. Natl. Acad. Sci., U.S.A., 91, 227-231. "Crystal structure of Peanut lectin. A protein with an unusual quaternary structure" [Abstract]

 

1993

  1. Mathur, P., Hossan, Md. M., Das, Kalyan, and Sinha, U.C. (1993). J. Chem. Soc., Chem. Comm., 46. "Acetylenic derivatives of [Fe2(CO)6(m-Se2)]: Acetylenic bond reduction in Selenium stablized Fe2Pt mixed-metal complex."
  1. Das, Kalyan, Sinha, U.C., Chattarjee, C., and Mischnev, A. (1993) Z. fur Kristallogr., 205, 316-318. "Crystal structure of cis-(carbonnato)bis(2,2'-bipyridine) cobalt(III) chloride trihydrate, (Co(C10H8N2)2CO3)Cl(H2O)3"

 

1992

  1. Das, Kalyan, Sinha, U.C., and Mathur, P. (1992). Acta Crystallogr., C48, 1386-1389. "Structure of a Te-methylene-Te bridged double butterfly complex."
  1. Das, Kalyan, Sinha, U.C., Desai, R.S., Bhat, S.V., Tavale, S.S., and Puranik, G.V. (1992). Acta Crystallogr., C48, 525-527. "Structure of an intermediate methylated product in the synthesis of Drimanes."
  1. Das, Kalyan, Sinha, U.C., Kumar, S.K., Singh, H.B., and Mishnev, A. (1992). Acta Crystallogr., C48, 488-490. "Structure of Bis(butylenedithio)tetrathiafulvalene: An organic p-donor molecule."

 

1991

  1. Kumar, S.K., Singh, H.B., Das, Kalyan, Sinha, U.C., and Mishnev, A. (1991). J. Chem. Soc., Chem. Comm., 952. "Bis[Napthalene-1,8-diylbis(methylthio)]tetrathiafulvalene (BNMT-TTF) and Bis(tetramethylenedithio)tetrathiafulvalence (BMDT-TTF): New electron donors."
  1. Das, Kalyan, Sinha, U.C., Desai, S.R., Bhat, S.V., Tavale, S.S., and Puranik, G.V. (1991). Acta Crystallogr., C47, 1925-1929. "Structure of a new benzofuran derivative."
  1. Das, Kalyan, Sinha, U.C., Desai, S.R., Bhat, S.V., Tavale, S.S., and Puranik, G.V. (1991). Acta Crystallogr., C47, 1922-1925. "Structure of 4-phenylcoumarine derivative."
  1. Mathur, P., Reddy, V.D., Das, Kalyan, and Sinha, U.C. (1991). J. Organometallic Chem., 409, 255-261. "Synthesis and structural characterization of a new methyl bridged double butterfly shaped complex [(m-CH3Te)Fe2(CO)6]2[(m-Te-(CH2)-Te-m]."
  1. Das, Kalyan, Sinha, U.C., Narkhede, D.D., Iyer, P.R., and Bohra, R. (1991). Acta Crystallogr., C47, 1863-1866. "Structure of Hexamethylhexahydropyranopetrocropan."
  1. Das, Kalyan, Sinha, U.C., Mayelvaganan, T., Bhat, S.V., and Tavale, S.S. (1991). Acta Crystallogr., C47, 1426-1429. "Structure of 17-Epinimocinol."

 

1990

  1. Sengupta, A.K., Bohra, R., Mehrotra, R.C., and Das, Kalyan (1990). Main Group Metal Chemistry, 13, 321. "Heterocyclic Compounds Containing Antimony : 4. Synthesis and Properties of (Pr(i)O)Sb(O-C6H4-O) and E[Sb(O-C6H4-O)], (E= H, Li, Na or K). Crystal Structure of the Ammonium salt NH4[Sb(O-C6H4-O)2].0.5CH3OH."
  1. Kumar, S.K., Singh, H.B., Das, Kalyan, and Sinha, U.C. (1990). J. Organometallic Chem., 397, 161-167. "Synthesis and Structure of di-2-denzo[b]thienyl ditelluried."
  1. Das, Kalyan, Sinha, U.C., Talwar, S.S., Kamath, M.B., and Bohra, R. (1990). Acta Crystallogr., C46, 2126-2128. "Structure of 1,4-Bis(3-quinolyl)-1,3-butadiyne."
  1. Das, Kalyan, Sinha, U.C., Narkhede, D.D., and Manisekharan, T. (1990). Acta Crystallogr., C46, 1888-1890. "Structure of 7,7-Dimethyldihydropyrnopetrocropane"
  1. Sengupta, A.K., Bohra, R., Mehrotra, R.C., and Das, Kalyan (1990). Inorg. Cemica Acta., 170, 191-197. "Heterocyclic Compounds Containing Antimony: 1. Synthesis, Physicochemical Properties, Crystal and Molecular Structure of 2-(b-Hydroxeylthio) 1,3,2- Oxathiastibolane."
  1. Talwar, S., Kamath, M., Das, Kalyan, and Sinha, U.C. (1990). Polymer Comm., 31, 198-200. "Synthesis and solid state polymerization of a diaryldiacetylene: 1,4-bis(3-quinolyl)-1,3- butadiyne."

 

1989

  1. Das, Kalyan, Sinha, U.C., Mukharjee, R.N., and Bohra, R. (1989). Acta Crystallogr., C45, 890-892. "Structure of Penta-coordinate Complex of Bis(diphenyldithiophosphinato) cobalt(II) with 3-Methylpyridine."

1.   Das, Kalyan, Sinha, U.C., Phulambrikar, A., and Chatterjee, C. (1989). Acta Crystallogr., C45, 398-400. "Structure of (Ethylenediamine)(cis-a-ethylenediamine-N,N'-diacetato) cobalt(III) Perchlorate."

 

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