Irene Weber: Recent and Selected Publications

• Sayer, J.M., Liu, F., Ishima, R., Weber, I.T., Louis, J.M. Effect of the active-site D25N mutation on the structure, stability and ligand binding of the mature HIV-1 protease. (2008) J. Biol. Chem. epub.

• Ghosh, A.K., Chapsal, B.D., Weber, I.T., Mitsuya H. Design of HIV Protease Inhibitors Targeting Protein Backbone: An Effective Strategy for Combating Drug Resistance. (2008) Acc. Chem. Res., 41; 78-86.

• Kovalevsky, A.Y., Chumanevich, A.A., Liu, F., Louis, J.M., Weber, I.T. Caught in the Act: the 1.5 A resolution crystal structures of the HIV-1 protease and the I54V mutant reveal a tetrahedral reaction intermediate. (2007) Biochemistry 46, 14854-64.

• Liu, P., Ewis, H.E., Huang, Y.J., Lu, C.D., Tai, P.C., Weber, I.T. Structure of Bacillus subtilis superoxide dismutase. (2007) Acta Crystallog. F 63, 1003-1007.

• Agniswamy, J., Fang, B., Weber, I.T. Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis. (2007) FEBS. J., 274, 4752-4765.

• Wang, Y.-F., Tie, Y., Boross, P.I., Tozser, J., Ghosh, A.K., Harrison, R.W., Weber, I.T. Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease. (2007) J. Med. Chem., 50, 4509-4515.

• Tie, Y., Wang, H., Harrison, R.W., Weber, I.T. Database for structural analysis of HIV protease. (2007) Poster Proceedings of the International Symposium on Bioinformatics Research and Applications (ISBRA), Springer Verlag Lecture Notes in Bioinformatics, p59-62.

• Louis, J.M., Ishima, R., Torchia, D.A., Weber, I.T. HIV-1 Protease: Structure, Dynamics and Inhibition. In: Advances in Pharmacology, HIV-1: Molecular Biology and Pathogenesis: Viral Mechanisms, 2nd edition. ed. Jeang, H.-T., Academic Press, San Diego, CA. (invited review) (2007) 55, 261-98.

• Sperka, T., Miklóssy, G., Tie, Y., Bagossi, P., Zahuczky, G., Boross, P., Matúz, K., Harrison, R.W., Weber, I.T., Tözsér, J. Bovine Leukemia Virus Protease: Comparison with Human T-cell Leukemia Virus and Human Immunodeficiency Virus Proteases. (2007) J. Gen. Virol., 88, 2052-2063.

• Weber, I.T., Kovalevsky, A.Y., Harrison, R.W. Structures of HIV Protease Guide Inhibitor Design to Overcome Drug Resistance. Frontiers in Drug Design & Discovery, eds., G.W. Caldwell, Atta-ur-Rahman, M.R. Player, M.I. Choudhary, Bentham Science Publishers, (2007), (invited review) 3, 45-62.

• Amano, M., Koh, Y., Das, D., Li, J., Leschenko, S., Wang, Y.-F., Boross, P.I., Weber, I.T., Ghosh, A.K., Mitsuya, H. A novel bis-tetrahydrofuranylurethane-containing nonpeptidic protease inhibitor (PI), GRL-98065, is potent against multiple-PI-resistant human immunodeficiency virus in vitro. (2007) Antimicrob. Agents. Chemother., 51, 2143-2155.

• Tie, Y., Kovalevsky, A.Y., Boross, P.I., Wang, Y.-F., Ghosh, A.K., Tozser, J., Harrison, R.W., Weber, I.T. Atomic Resolution Crystal Structures of HIV-1 Protease and Mutants V82A and I84V with Saquinavir. (2007) Proteins, 67, 232-242.

• Liu, P., Ewis, H., Lu, C.D., Tai, P.C., Weber, I.T. Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est55 and Its Activation of Prodrug CPT-11. (2007) J. Mol. Biol. 367, 212-23.

• Volarath, P., Weber, I.T., Harrison, R.W. Structure Based Drug Design for HIV Protease: From Molecular Modeling to Cheminformatics. (2007) Curr. Top. Med. Chem., invited review, 7, 1041-9.

• Tozser, J., Weber, I.T. The protease of human T-cell leukemia virus type-1 is a potential therapeutic target. (invited review) (2007) Current Pharmaceutical Design, 13, 1285-1294.

• Liu, F., Kovalevsky, A.Y., Louis, J.M., Boross, P.I., Eang, Y.-F., Harrison, R.W Weber, I.T. Mechanism of Drug Resistance Revealed by the Crystal Structure of the Unliganded HIV-1 Protease with F53L Mutation. (2006) J. Mol. Biol. 358, 1191-1199.

• Kovalevsky, A.Y., Tie, Y., Liu, F., Boross, P.I., Wang, Y.-W., Leshchenko, S., Ghosh, A.K., Harrison, R.W., Weber, I.T. Effectiveness of Nonpeptide Clinical Inhibitor TMC114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V and L90M. (2006) J. Med. Chem. 49, 1379-1387.

• Fang, B., Boross, P.I., Tozser, J., Weber, I.T. Structural Insight Into Caspase-3 Selectivity For Substrate Positions P2, P3, And P5 (2006) J. Mol. Biol. 360, 654-666.

• Ghosh, A.K., Sridhar, P.R., Kumaragurubaran, N., Koh, Y., Weber, I.T., Mitsuya, H. Bis-Tetrahydrofuran: A Privileged Ligand for Darunavir and a New Generation of HIV-Protease Inhibitors That Combat Drug-Resistance. (review) (2006) ChemMedChem, 1, 939-950.

• Ghosh, A.K., Sridhar, P.R., Leshchenko, S., Hussain, A.K., Li, J., Kovalevsky, A.Y., Walters, D.E., Wedekind, J.E., Tokars, V.L., Das, D., Koh, Y., Maeda, K., Gatanaga, H., Weber, I.T., Mitsuya, H. Structure-Based Design of Novel HIV-1 Protease Inhibitors to Combat Drug Resistance. J. Med. Chem. (2006) 49, 5252-5261.

• Kovalevsky, A.Y., Liu, F., Leshchenko, S., Ghosh, A.K., Louis, J.M., Harrison, R.W., Weber, I.T. Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114. (2006) J. Mol. Biol. 363, 161-173.

• Guo, X., Chen, X., Weber, I.T., Harrison, R.W., Tai, P.C. Molecular Basis for Differential Nucleotide Binding of ABC-transporter CvaB. (2006) Biochemistry, 45, 14473-80.

• Feher, A., Boross, P., Sperka, T., Miklossy, G., Kadas, J., Bagossi, P., Oroszlan, S., Weber, I.T., Tozser, J. Characterization of the murine leukemia virus protease and its comparison with the human immunodeficiency virus protease. (2006) J. Gen. Virol. 87, 1321-1330.

• Vana, M.L., Boross, P., Weber, I., Colman, D., Barklis, E., Leis, J. Mutations affecting cleavage at the p10-capsid protease cleavage site block Rous sarcoma virus replication. (2005) Retrovirology, 2, 58.

• Tie, Y., Boross, P.I., Wang, Y.-F., Gaddis, L., Liu, F., Chen, X., Tozser, J., Harrison, R.W., Weber, I.T. Molecular Basis for Substrate Recognition and Drug Resistance from 1.1-1.6 A Resolution Crystal Structures of HIV-1 Protease Mutants with Substrate Analogs. (2005) FEBS J., 272, 5265-5277.

• Liu, F., Boross, P.I., Wang, Y.-F., Tozser, J., Louis, J.M., Harrison, R.W., Weber, I.T. Distinct Structural Changes in High Resolution Crystal Structures of HIV-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S. (2005) J. Mol. Biol. 354, 789-800.

• Chen, A., Weber, I.T., Harrison, R.W., Leis, J. Identification of Amino Acids in HIV-1 and ASV Integrase Subsites Required for Specific Recognition of the LTR termini. (2006) J. Biol. Chem. 281,4173-4182.

• Koh, Y., Nakata, H., Maeda, K., Ogata, H., Bilcer, G., Devasamundam, T., Kincaid, J.F., Boross, P., Wang, Y.-F., Tie, Y., Volarath, P., Gaddis, L., Harrison, R.W., Weber, I.T., Ghosh, A.K., Mitsuya, H. A novel bis-tetrahydrofuranylurethane-containing nonpeptidic protease inhibitor (PI) UIC-94017 (TMC114) potent against multi-PI- resistant HIV in vitro. (2003) Antimicrob. Agent Chemother. 47, 3123-3129.

• Petock, J.M., Torshin, I.Y., Weber, I.T., Harrison, R.W. Analysis of protein structures reveals regions of rare backbone conformation at functional sites. (2003) Proteins 53, 872-879.

• Daniel, R., Myers, CB., Kulkosky, J., Taganov, K., Greger, JG., Merkel, G., Weber, IT., Harrison, RW., Skalka, AM. Characterization of a naphthalene derivative inhibitor of retroviral integrases. AIDS Res. Hum. Retroviruses. (2004) 20, 135-144.

• Tie, Y., Boross, P.I., Wang, Y.-F., Gaddis, L., Hussain, A.K., Leshchenko, S., Ghosh, A.K., Louis, J.M., Harrison, R.W., Weber, I.T. High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-peptide Inhibitor (UIC-94017) Active against Multi-Drug Resistant Clinical Strains. (2004) J. Mol. Biol. 338, 341-352.

• Mahalingam, B., Wang, Y.-F., Boross, P.I., Tozser, J., Louis, J.M., Harrison, R.W., Weber, I.T. Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. (2004) Eur. J. Biochem. 271, 1516-1524.

• Harrison, R.W., and Weber, I.T. Molecular Models of Human Glucokinase and the Implications for Glycemic Diseases. (2004) Frontiers in Diabetes, Vol. 16: Glucokinase and Glycemic Disease, From Basics to Novel Therapeutics. Eds. Matschinsky, F.M. and Magnuson, M.A., Basel, Karger, pp 135-144.

• Bagossi, P., Kadas, J., Miklossy, G., Boross, P., Weber, I.T., Tozser, J. Development of a microtiter plate fluorescent assay for inhibition studies on the HTLV-1 and HIV-1 proteinases. (2004) J. Virol. Methods 119, 87-93.

• Liu, P., Wang, Y.-F., Ewis, H., Abdelal, A., Lu, C.D., Harrison, R.W., Weber, I.T. Covalent Reaction Intermediate revealed in Crystal Structure of the Geobacillus stearothermophilus Carboyxlesterase Est30. (2004) J. Mol. Biol. 342, 551-556.

• Chen, X., Weber, I.T., Harrison, R.W. Molecular dynamics simulations of 14 HIV protease mutants in complexes with indinavir. (2004) J. Mol. Model. 10, 373-381.