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  1. 1.   Residue centrality, functionally important residues, and active site shape: Analysis of enzyme and non-enzyme families
  2. del Sol, A.; Fujihashi, H.; Amoros, D.; Nussinov, R.
  3. Protein Science. 2006, Sep; 15(9): 2120-2128.
  1. 2.   Mining the NCI antiviral compounds for HIV-1 integrase inhibitors
  2. Deng, J. X.; Kelley, J. A.; Barchi, J. J.; Sanchez, T.; Dayam, R.; Pommier, Y.; Neamati, N.
  3. Bioorganic & Medicinal Chemistry. 2006, JUN 1; 14(11): 3785-3792.
  1. 3.   Processing, catalytic activity and crystal structures of kumamolisin-As with an engineered active site
  2. Okubo, A.; Li, M.; Ashida, M.; Oyama, H.; Gustchina, A.; Oda, K.; Dunn, B. M.; Wlodawer, A.; Nakayama, T.
  3. Febs Journal. 2006, Jun; 273(11): 2563-2576.
  1. 4.   Molecular architecture and ligand recognition determinants for T4 RNA ligase
  2. El Omari, K.; Ren, J.; Bird, L. E.; Bona, M. K.; Klarmann, G.; Legrice, S. F. J.; Stammers, D. K.
  3. Journal of Biological Chemistry. 2006, JAN 20; 281(3): 1573-1579.
  1. 5.   Understanding how the herpes thymidine kinase orchestrates optimal sugar and nucleobase conformations to accommodate its substrate at the active site: A chemical approach
  2. Marquez, V. E.; Choi, Y.; Comin, M. J.; Russ, P.; George, C.; Huleihel, M.; Ben-Kasus, T.; Agbaria, R.
  3. Journal of the American Chemical Society. 2005, NOV 2; 127(43): 15145-15150.
  1. 6.   Computational study of a transition state analog of phosphoryl transfer in the Ras-RasGAP complex: AlFx versus MgF3
  2. Grigorenko, B. L.; Nemukhin, A. V.; Cachau, R. E.; Topol, I. A.; Burt, S. K.
  3. Journal of Molecular Modeling. 2005, NOV; 11(6): 503-508.
  1. 7.   Autophosphorylation of Archaeoglobus fulgidus Rio2 and crystal structures of its nucleotide-metal ion complexes
  2. Laronde-Leblanc, N.; Guszczynski, T.; Copeland, T.; Wlodawer, A.
  3. Febs Journal. 2005, JUN; 272(11): 2800-2810.
  1. 8.   Crystal structure of cockroach allergen Bla g 2, an unusual zinc binding aspartic protease with a novel mode of self-inhibition
  2. Gustchina, A.; Li, M.; Wunschmann, S.; Chapman, M. D.; Pomes, A.; Wlodawer, A.
  3. Journal of Molecular Biology. 2005, APR 29; 348(2): 433-444.
  1. 9.   A bifunctional DNA repair protein from Ferroplasma acidarmanus exhibits O-6-alkylguanine-DNA alkyltransferase and endonuclease V activities
  2. Kanugula, S.; Pauly, G. T.; Moschel, R. C.; Pegg, A. E.
  3. Proceedings of the National Academy of Sciences of the United States of America. 2005, MAR 8; 102(10): 3617-3622.
  1. 10.   Mutations in the RNase H primer grip domain of murine leukemia virus reverse transcriptase decrease efficiency and accuracy of plus-strand DNA transfer
  2. Mbisa, J. L.; Nikolenko, G. N.; Pathak, V. K.
  3. Journal of Virology. 2005, JAN; 79(1): 419-427.
  1. 11.   Functional roles of carboxylate residues comprising the DNA polymerase active site triad of Ty3 reverse transcriptase
  2. Bibillo, A.; Lener, D.; Klarmann, G. J.; Le Grice, S. F. J.
  3. Nucleic Acids Research. 2005 33(1): 171-181.
  1. 12.   Selective inhibition of HIV-1 reverse transcriptase-associated ribonuclease H activity by hydroxylated tropolones
  2. Budihas, S. R.; Gorshkova, I.; Gaidamakov, S.; Wamiru, A.; Bona, M. K.; Parniak, M. A.; Crouch, R. J.; McMahon, J. B.; Beutler, J. A.; Le Grice, S. F. J.
  3. Nucleic Acids Research. 2005 33(4): 1249-1256.
  1. 13.   Involvement of domain II in toxicity of anthrax lethal factor
  2. Liang, X. D.; Young, J. J.; Boone, S. A.; Waugh, D. S.; Duesbery, N. S.
  3. Journal of Biological Chemistry. 2004, DEC 10; 279(50): 52473-52478.
  1. 14.   Model of full-length HIV-1 integrase complexed with viral DNA as template for anti-HIV drug design
  2. Karki, R. G.; Tang, Y.; Burke, T. R.; Nicklaus, M. C.
  3. Journal of Computer-Aided Molecular Design. 2004, DEC; 18(12): 739-760.
  1. 15.   Classification of ATP-dependent proteases Lon and comparison of the active sites of their proteolytic domains
  2. Rotanova, T. V.; Melnikov, E. E.; Khalatova, A. G.; Makhovskaya, O. V.; Botos, I.; Wlodawer, A.; Gustchina, A.
  3. European Journal of Biochemistry. 2004, DEC; 271(23-24): 4865-4871.
  1. 16.   Taking aim at a moving target: designing drugs to inhibit drug-resistant HIV-1 reverse transcriptases
  2. Sarafianos, S. G.; Das, K.; Hughes, S. H.; Arnold, E.
  3. Current Opinion in Structural Biology. 2004, DEC; 14(6): 716-730.
  1. 17.   Ubiquitin charging of human class III ubiquitin-conjugating enzymes triggers their nuclear import
  2. Plafker, S. M.; Plafker, K. S.; Weissman, A. M.; Macara, I. G.
  3. Journal of Cell Biology. 2004, NOV 22; 167(4): 649-659.
  1. 18.   Amino-terminal region of the human immunodeficiency virus type 1 nucleocapsid is required for human APOBEC3G packaging
  2. Luo, K.; Liu, B. D.; Xiao, Z. X.; Yu, Y. K.; Yu, X. H.; Gorelick, R.; Yu, X. F.
  3. Journal of Virology. 2004, NOV; 78(21): 11841-11852.
  1. 19.   Site- and subunit-specific incorporation of unnatural amino acids into HIV-1 reverse transcriptase
  2. Klarmann, G. J.; Eisenhauer, B. M.; Yi, Z.; Sitaraman, K.; Chatterjee, D. K.; Hecht, S. M.; Le Grice, S. F. J.
  3. Protein Expression and Purification. 2004, NOV; 38(1): 37-44.
  1. 20.   Fourier transform ion cyclotron resonance MS reveals the presence of a water molecule in an enzyme transition-state analogue complex
  2. Borchers, C. H.; Marquez, V. E.; Schroeder, G. K.; Short, S. A.; Snider, M. J.; Speir, J. P.; Wolfenden, R.
  3. Proceedings of the National Academy of Sciences of the United States of America. 2004, OCT 26; 101(43): 15341-15345.
  1. 21.   Design and synthesis of novel indole beta-diketo acid derivatives as HIV-1 integrase inhibitors
  2. Sechi, M.; Derudas, M.; Dallocchio, R.; Dessi, A.; Bacchi, A.; Sannia, L.; Carta, F.; Palomba, M.; Ragab, O.; Chan, C.; Shoemaker, R.; Sei, S.; Dayam, R.; Neamati, N.
  3. Journal of Medicinal Chemistry. 2004, OCT 7; 47(21): 5298-5310.
  1. 22.   The catalytic domain of Escherichia coli Lon protease has a unique fold and a Ser-Lys dyad in the active site
  2. Botos, I.; Melnikov, E. E.; Cherry, S.; Tropea, J. E.; Khalatova, A. G.; Rasulova, F.; Dauter, Z.; Maurizi, M. R.; Rotanova, T. V.; Wlodawer, A.; Gustchina, A.
  3. Journal of Biological Chemistry. 2004 279(9): 8140-8148.
  1. 23.   Expression of the murine leukemia virus protease in fusion with maltose-binding protein in Escherichia coli
  2. Feher, A.; Boross, P.; Sperka, T.; Oroszlan, S.; Tozser, J.
  3. Protein Expression and Purification. 2004 35(1): 62-68.
  1. 24.   Different roles of electrostatics in heat and in cold: Adaptation by citrate synthase
  2. Kumar, S.; Nussinov, R.
  3. Chembiochem. 2004 5(3): 280-290.
  1. 25.   Rational design and synthesis of novel dimeric diketoacid-containing inhibitors of HIV-1 integrase: Implication for binding to two metal ions on the active site of integrase
  2. Long, Y. Q.; Jiang, X. H.; Dayam, R.; Sanchez, T.; Shoemaker, R.; Sei, S.; Neamati, N.
  3. Journal of Medicinal Chemistry. 2004 47(10): 2561-2573.
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