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
- 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]
- 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]
- 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]
- 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]
- 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]
- 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
- 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]
- 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]
- 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]
- 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]
- 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
- 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
- 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]
- 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]
- 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
- 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
- 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]
- 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
- 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]
- 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]
- 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]
- 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]
- 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]
- 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]
- 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
- 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
- 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]
- 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
- 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]
- 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]
- 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."
- 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
- 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."
- 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."
- 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."
- 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
- 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]
- 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]
- 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]
- 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
- 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]
- 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]
- 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]
- 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]
- 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
- 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."
- 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
- 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."
- 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
- Das,
Kalyan, Sinha, U.C., and Mathur, P. (1992). Acta Crystallogr., C48, 1386-1389. "Structure
of a Te-methylene-Te bridged double butterfly complex."
- 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."
- 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
- 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."
- 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."
- 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."
- 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]."
- Das,
Kalyan, Sinha, U.C., Narkhede, D.D., Iyer, P.R., and Bohra, R. (1991).
Acta Crystallogr., C47, 1863-1866.
"Structure of Hexamethylhexahydropyranopetrocropan."
- 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
- 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."
- 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."
- 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."
- Das,
Kalyan, Sinha, U.C., Narkhede, D.D., and Manisekharan, T. (1990). Acta
Crystallogr., C46,
1888-1890. "Structure of 7,7-Dimethyldihydropyrnopetrocropane"
- 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."
- 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
- 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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