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Irene T. Weber - Publications

Affiliations: 
Georgia State University, Atlanta, GA, United States 
Area:
Biochemistry, Pharmaceutical Chemistry
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185 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Ghosh AK, Mishevich JL, Kovela S, Shaktah R, Ghosh AK, Johnson M, Wang YF, Wong-Sam A, Agniswamy J, Amano M, Takamatsu Y, Hattori SI, Weber IT, Mitsuya H. Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation. European Journal of Medicinal Chemistry. 255: 115385. PMID 37150084 DOI: 10.1016/j.ejmech.2023.115385  0.386
2023 Ghosh AK, Shahabi D, Kipfmiller M, Ghosh AK, Johnson M, Wang YF, Agniswamy J, Amano M, Weber IT, Mitsuya H. Evaluation of Darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies. Bioorganic & Medicinal Chemistry Letters. 129168. PMID 36738797 DOI: 10.1016/j.bmcl.2023.129168  0.381
2022 Ghosh AK, Weber IT, Mitsuya H. Beyond darunavir: recent development of next generation HIV-1 protease inhibitors to combat drug resistance. Chemical Communications (Cambridge, England). PMID 36200462 DOI: 10.1039/d2cc04541a  0.356
2022 Wong-Sam A, Wang YF, Kneller DW, Kovalevsky AY, Ghosh AK, Harrison RW, Weber IT. HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics. Journal of Molecular Graphics & Modelling. 117: 108315. PMID 36108568 DOI: 10.1016/j.jmgm.2022.108315  0.407
2022 Ghosh AK, Kovela S, Sharma A, Shahabi D, Ghosh AK, Hopkins DR, Yadav M, Johnson ME, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H. Design, Synthesis and X-ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-furofuran derivatives as P2 ligands. Chemmedchem. PMID 35170223 DOI: 10.1002/cmdc.202200058  0.352
2021 Burnaman SH, Kneller DW, Wang YF, Kovalevsky A, Weber IT. Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17. Journal of Molecular Graphics & Modelling. 108: 108005. PMID 34419931 DOI: 10.1016/j.jmgm.2021.108005  0.398
2021 Agniswamy J, Kneller DW, Ghosh AK, Weber IT. Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR. Biochemical and Biophysical Research Communications. 566: 30-35. PMID 34111669 DOI: 10.1016/j.bbrc.2021.05.094  0.396
2021 Weber IT, Wang YF, Harrison RW. HIV Protease: Historical Perspective and Current Research. Viruses. 13. PMID 34066370 DOI: 10.3390/v13050839  0.319
2020 Ghosh AK, Grillo A, Raghavaiah J, Kovela S, Johnson ME, Kneller DW, Wang YF, Hattori SI, Higashi-Kuwata N, Weber IT, Mitsuya H. Design, Synthesis, and X-ray Studies of Potent HIV-1 Protease Inhibitors with P2-Carboxamide Functionalities. Acs Medicinal Chemistry Letters. 11: 1965-1972. PMID 33062180 DOI: 10.1021/Acsmedchemlett.9B00670  0.459
2020 Ghosh AK, Kovela S, Osswald HL, Amano M, Aoki M, Agniswamy J, Wang YF, Weber IT, Mitsuya H. Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies. Journal of Medicinal Chemistry. PMID 32348139 DOI: 10.1021/Acs.Jmedchem.0C00202  0.483
2020 Kovalevsky A, Gerlits O, Beltran K, Weiss KL, Keen DA, Blakeley MP, Louis JM, Weber IT. Proton transfer and drug binding details revealed in neutron diffraction studies of wild-type and drug resistant HIV-1 protease. Methods in Enzymology. 634: 257-279. PMID 32093836 DOI: 10.1016/Bs.Mie.2019.12.002  0.462
2020 Kneller DW, Agniswamy J, Harrison RW, Weber IT. Highly drug-resistant HIV-1 protease reveals decreased intra-subunit interactions due to clusters of mutations. The Febs Journal. PMID 31920003 DOI: 10.1111/Febs.15207  0.488
2019 Ghosh AK, Xia Z, Kovela S, Robinson WL, Johnson ME, Kneller DW, Wang YF, Aoki M, Takamatsu Y, Weber IT, Mitsuya H. Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-ligand X-ray Structural Studies. Chemmedchem. PMID 31549492 DOI: 10.1002/Cmdc.201900508  0.474
2019 Kneller DW, Agniswamy J, Ghosh AK, Weber IT. Potent antiviral HIV-1 protease inhibitor combats highly drug resistant mutant PR20. Biochemical and Biophysical Research Communications. PMID 31474336 DOI: 10.1016/J.Bbrc.2019.08.126  0.51
2019 Agniswamy J, Kneller DW, Brothers R, Wang YF, Harrison RW, Weber IT. Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega. 4: 8707-8719. PMID 31172041 DOI: 10.1021/acsomega.9b00683  0.321
2019 Pawar S, Wang YF, Wong-Sam A, Agniswamy J, Ghosh AK, Harrison RW, Weber IT. Structural studies of antiviral inhibitor with HIV-1 protease bearing drug resistant substitutions of V32I, I47V and V82I. Biochemical and Biophysical Research Communications. PMID 31092330 DOI: 10.1016/J.Bbrc.2019.05.064  0.52
2018 Ghosh AK, Williams JN, Ho RY, Simpson HM, Hattori SI, Hayashi H, Agniswamy J, Wang YF, Weber IT, Mitsuya H. Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. Journal of Medicinal Chemistry. PMID 30354121 DOI: 10.2210/Pdb6E7J/Pdb  0.489
2018 Pawar SD, Freas C, Weber IT, Harrison RW. Analysis of drug resistance in HIV protease. Bmc Bioinformatics. 19: 362. PMID 30343664 DOI: 10.1186/S12859-018-2331-Y  0.353
2018 Ghosh AK, Jadhav RD, Simpson H, Kovela S, Osswald H, Agniswamy J, Wang YF, Hattori SI, Weber IT, Mitsuya H. Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. European Journal of Medicinal Chemistry. 160: 171-182. PMID 30340140 DOI: 10.2210/Pdb6Dv4/Pdb  0.487
2018 Wong-Sam A, Wang YF, Zhang Y, Ghosh AK, Harrison RW, Weber IT. Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. Acs Omega. 3: 12132-12140. PMID 30288468 DOI: 10.1021/acsomega.8b01683  0.418
2018 Ball J, Reis RAG, Agniswamy J, Weber IT, Gadda G. STERIC HINDRANCE CONTROLS PYRIDINE NUCLEOTIDE SPECIFICITY OF A FLAVIN-DEPENDENT NADH:QUINONE OXIDOREDUCTASE. Protein Science : a Publication of the Protein Society. PMID 30246917 DOI: 10.1002/Pro.3514  0.431
2018 Ghosh AK, R Nyalapatla P, Kovela S, Rao KV, Brindisi M, Osswald HL, Amano M, Aoki M, Agniswamy J, Wang YF, Weber IT, Mitsuya H. Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis. Journal of Medicinal Chemistry. PMID 29763303 DOI: 10.1021/Acs.Jmedchem.8B00298  0.479
2018 Ghosh AK, Rao KV, Nyalapatla PR, Kovela S, Brindisi M, Osswald HL, Sekhara Reddy B, Agniswamy J, Wang YF, Aoki M, Hattori SI, Weber IT, Mitsuya H. Design of Highly Potent, Dual Acting and Central Nervous System Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants. Chemmedchem. PMID 29437300 DOI: 10.1002/Cmdc.201700824  0.474
2018 Agniswamy J, Reis RAG, Wang YF, Smitherman C, Su D, Weber I, Gadda G. Crystal Structure of Yeast Nitronate Monooxygenase from Cyberlindnera saturnus. Proteins. PMID 29383742 DOI: 10.1002/Prot.25470  0.44
2018 Ghosh AK, Rao KV, Nyalapatla PR, Kovela S, Brindisi M, Osswald HL, Sekhara Reddy B, Agniswamy J, Wang Y, Aoki M, Hattori S, Weber IT, Mitsuya H. Front Cover: Design of Highly Potent, Dual-Acting and Central-Nervous-System-Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants (ChemMedChem 8/2018) Chemmedchem. 13: 762-762. DOI: 10.1002/Cmdc.201800226  0.405
2017 Ghosh AK, Fyvie WS, Brindisi M, Steffey M, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H. Design, synthesis, biological evaluation, and X-ray studies of HIV-1 protease inhibitors with modified P2'-ligands of Darunavir. Chemmedchem. PMID 29110408 DOI: 10.1002/Cmdc.201700614  0.461
2017 Ghosh AK, Sean Fyvie W, Brindisi M, Steffey M, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H. Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands. Bioorganic & Medicinal Chemistry Letters. PMID 28958624 DOI: 10.1016/J.Bmcl.2017.09.003  0.422
2017 Weber IT, Harrison RW. Decoding HIV resistance: from genotype to therapy. Future Medicinal Chemistry. PMID 28791894 DOI: 10.4155/Fmc-2017-0048  0.386
2017 Ghosh AK, Brindisi M, Nyalapatla PR, Takayama J, Ella-Menye JR, Yashchuk S, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H. Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorganic & Medicinal Chemistry. PMID 28434781 DOI: 10.1016/J.Bmc.2017.04.005  0.493
2017 Ghosh AK, Rao KV, Nyalapatla PR, Osswald HL, Martyr CD, Aoki M, Hayashi H, Agniswamy J, Wang YF, Bulut H, Das D, Weber IT, Mitsuya H. Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants. Journal of Medicinal Chemistry. PMID 28418652 DOI: 10.1021/Acs.Jmedchem.7B00172  0.478
2017 Gerlits OO, Keen DA, Blakeley MP, Louis JM, Weber IT, Kovalevsky AY. Room temperature neutron crystallography of drug resistant HIV-1 protease uncovers limitations of X-ray structural analysis at 100K. Journal of Medicinal Chemistry. PMID 28195728 DOI: 10.1021/Acs.Jmedchem.6B01767  0.496
2017 Kovalevsky A, Gerlits O, Das A, Wymore T, Keen DA, Blakeley M, Louis JM, Weber I. Neutron crystallographic and scattering studies of function and inhibition of HIV-1 protease Acta Crystallographica Section a Foundations and Advances. 73: a36-a36. DOI: 10.1107/S0108767317099640  0.353
2016 Agniswamy J, Louis JM, Roche J, Harrison RW, Weber IT. Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics. Plos One. 11: e0168616. PMID 27992544 DOI: 10.1371/Journal.Pone.0168616  0.457
2016 Shen C, Yu X, Harrison RW, Weber IT. Automated prediction of HIV drug resistance from genotype data. Bmc Bioinformatics. 17: 278. PMID 27586700 DOI: 10.1186/S12859-016-1114-6  0.372
2016 Ghosh AK, Osswald HL, Glauninger K, Agniswamy J, Wang YF, Hayashi H, Aoki M, Weber IT, Mitsuya H. Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation. Journal of Medicinal Chemistry. PMID 27389367 DOI: 10.1021/Acs.Jmedchem.6B00639  0.44
2016 Sachla AJ, Ouattara M, Romero E, Agniswamy J, Weber IT, Gadda G, Eichenbaum Z. In vitro heme biotransformation by the HupZ enzyme from Group A streptococcus. Biometals : An International Journal On the Role of Metal Ions in Biology, Biochemistry, and Medicine. PMID 27154580 DOI: 10.1007/S10534-016-9937-1  0.342
2016 Park JH, Sayer JM, Aniana A, Yu X, Weber IT, Harrison RW, Louis JM. Binding of clinical inhibitors to a model precursor of a rationally selected multidrug resistant HIV-1 protease is significantly weaker than to the released mature enzyme. Biochemistry. PMID 27039930 DOI: 10.1021/Acs.Biochem.6B00012  0.421
2016 Gerlits O, Wymore T, Das A, Shen CH, Parks JM, Smith JC, Weiss KL, Keen DA, Blakeley MP, Louis JM, Langan P, Weber IT, Kovalevsky A. Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site. Angewandte Chemie (International Ed. in English). PMID 26958828 DOI: 10.1002/Anie.201509989  0.364
2015 Yu X, Weber IT, Harrison RW. Identifying representative drug resistant mutants of HIV. Bmc Bioinformatics. 16: S1. PMID 26678327 DOI: 10.1186/1471-2105-16-S17-S1  0.376
2015 Weber IT. Can we design drugs for HIV/AIDS that are less susceptible to resistance? Future Medicinal Chemistry. 7: 2301-4. PMID 26619140 DOI: 10.4155/Fmc.15.149  0.362
2015 Ghosh AK, Martyr CD, Kassekert LA, Nyalapatla PR, Steffey M, Agniswamy J, Wang YF, Weber IT, Amano M, Mitsuya H. Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Organic & Biomolecular Chemistry. PMID 26462551 DOI: 10.1039/C5Ob01930C  0.474
2015 Shen CH, Chang YC, Agniswamy J, Harrison RW, Weber IT. Conformational variation of an extreme drug resistant mutant of HIV protease. Journal of Molecular Graphics & Modelling. 62: 87-96. PMID 26397743 DOI: 10.1016/J.Jmgm.2015.09.006  0.486
2015 Ghosh AK, Martyr CD, Osswald HL, Sheri VR, Kassekert LA, Chen S, Agniswamy J, Wang YF, Hayashi H, Aoki M, Weber IT, Mitsuya H. Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies. Journal of Medicinal Chemistry. PMID 26306007 DOI: 10.1021/Acs.Jmedchem.5B00900  0.496
2015 Ghosh AK, Yu X, Osswald HL, Agniswamy J, Wang YF, Amano M, Weber IT, Mitsuya H. Structure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies. Journal of Medicinal Chemistry. PMID 26107245 DOI: 10.1021/Acs.Jmedchem.5B00676  0.489
2015 Ghosh AK, Takayama J, Kassekert LA, Ella-Menye JR, Yashchuk S, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H. Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands. Bioorganic & Medicinal Chemistry Letters. PMID 26096678 DOI: 10.1016/J.Bmcl.2015.05.052  0.487
2015 Weber IT, Kneller DW, Wong-Sam A. Highly resistant HIV-1 proteases and strategies for their inhibition. Future Medicinal Chemistry. 7: 1023-38. PMID 26062399 DOI: 10.4155/Fmc.15.44  0.459
2015 Agniswamy J, Louis JM, Shen CH, Yashchuk S, Ghosh AK, Weber IT. Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20. Journal of Medicinal Chemistry. 58: 5088-95. PMID 26010498 DOI: 10.1021/Acs.Jmedchem.5B00474  0.446
2015 Ghosh AK, Yashchuk S, Mizuno A, Chakraborty N, Agniswamy J, Wang YF, Aoki M, Gomez PM, Amano M, Weber IT, Mitsuya H. Design of gem-difluoro-bis-tetrahydrofuran as P2 ligand for HIV-1 protease inhibitors to improve brain penetration: synthesis, X-ray studies, and biological evaluation. Chemmedchem. 10: 107-15. PMID 25336073 DOI: 10.1002/Cmdc.201402358  0.444
2014 Yu X, Weber IT, Harrison RW. Prediction of HIV drug resistance from genotype with encoded three-dimensional protein structure. Bmc Genomics. 15: S1. PMID 25081370 DOI: 10.1186/1471-2164-15-S5-S1  0.395
2014 Salvi F, Agniswamy J, Yuan H, Vercammen K, Pelicaen R, Cornelis P, Spain JC, Weber IT, Gadda G. The combined structural and kinetic characterization of a bacterial nitronate monooxygenase from Pseudomonas aeruginosa PAO1 establishes NMO class I and II. The Journal of Biological Chemistry. 289: 23764-75. PMID 25002579 DOI: 10.1074/Jbc.M114.577791  0.365
2014 Zhang Y, Chang YC, Louis JM, Wang YF, Harrison RW, Weber IT. Structures of darunavir-resistant HIV-1 protease mutant reveal atypical binding of darunavir to wide open flaps. Acs Chemical Biology. 9: 1351-8. PMID 24738918 DOI: 10.1021/Cb4008875  0.526
2014 Salvi F, Wang YF, Weber IT, Gadda G. Structure of choline oxidase in complex with the reaction product glycine betaine. Acta Crystallographica. Section D, Biological Crystallography. 70: 405-13. PMID 24531474 DOI: 10.1107/S1399004713029283  0.426
2014 Abdur R, Gerlits OO, Gan J, Jiang J, Salon J, Kovalevsky AY, Chumanevich AA, Weber IT, Huang Z. Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides. Acta Crystallographica. Section D, Biological Crystallography. 70: 354-61. PMID 24531469 DOI: 10.1107/S1399004713027922  0.374
2013 Zhang Y, Reddish F, Tang S, Zhuo Y, Wang YF, Yang JJ, Weber IT. Structural basis for a hand-like site in the calcium sensor CatchER with fast kinetics. Acta Crystallographica. Section D, Biological Crystallography. 69: 2309-19. PMID 24311573 DOI: 10.1107/S0907444913021306  0.37
2013 Ghosh AK, Parham GL, Martyr CD, Nyalapatla PR, Osswald HL, Agniswamy J, Wang YF, Amano M, Weber IT, Mitsuya H. Highly potent HIV-1 protease inhibitors with novel tricyclic P2 ligands: design, synthesis, and protein-ligand X-ray studies. Journal of Medicinal Chemistry. 56: 6792-802. PMID 23947685 DOI: 10.1021/Jm400768F  0.482
2013 Weber IT, Waltman MJ, Mustyakimov M, Blakeley MP, Keen DA, Ghosh AK, Langan P, Kovalevsky AY. Joint X-ray/neutron crystallographic study of HIV-1 protease with clinical inhibitor amprenavir: insights for drug design. Journal of Medicinal Chemistry. 56: 5631-5. PMID 23772563 DOI: 10.1021/Jm400684F  0.446
2013 Agniswamy J, Shen CH, Wang YF, Ghosh AK, Rao KV, Xu CX, Sayer JM, Louis JM, Weber IT. Extreme multidrug resistant HIV-1 protease with 20 mutations is resistant to novel protease inhibitors with P1'-pyrrolidinone or P2-tris-tetrahydrofuran. Journal of Medicinal Chemistry. 56: 4017-27. PMID 23590295 DOI: 10.1021/Jm400231V  0.495
2013 Zhang H, Wang YF, Shen CH, Agniswamy J, Rao KV, Xu CX, Ghosh AK, Harrison RW, Weber IT. Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. Journal of Medicinal Chemistry. 56: 1074-83. PMID 23298236 DOI: 10.1021/Jm301519Z  0.532
2012 Shen CH, Tie Y, Yu X, Wang YF, Kovalevsky AY, Harrison RW, Weber IT. Capturing the reaction pathway in near-atomic-resolution crystal structures of HIV-1 protease. Biochemistry. 51: 7726-32. PMID 22963370 DOI: 10.1021/Bi3008092  0.726
2012 Weber IT, Agniswamy J, Fu G, Shen CH, Harrison RW. Reaction intermediates discovered in crystal structures of enzymes. Advances in Protein Chemistry and Structural Biology. 87: 57-86. PMID 22607752 DOI: 10.1016/B978-0-12-398312-1.00003-2  0.783
2012 Agniswamy J, Shen CH, Aniana A, Sayer JM, Louis JM, Weber IT. HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements. Biochemistry. 51: 2819-28. PMID 22404139 DOI: 10.1021/Bi2018317  0.547
2012 Chang YC, Yu X, Zhang Y, Tie Y, Wang YF, Yashchuk S, Ghosh AK, Harrison RW, Weber IT. Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. Journal of Medicinal Chemistry. 55: 3387-97. PMID 22401672 DOI: 10.1021/Jm300072D  0.754
2012 Ghosh AK, Chapsal BD, Steffey M, Agniswamy J, Wang YF, Amano M, Weber IT, Mitsuya H. Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors. Bioorganic & Medicinal Chemistry Letters. 22: 2308-11. PMID 22364812 DOI: 10.1016/J.Bmcl.2012.01.061  0.488
2012 Ghosh AK, Anderson DD, Weber IT, Mitsuya H. Enhancing protein backbone binding--a fruitful concept for combating drug-resistant HIV. Angewandte Chemie (International Ed. in English). 51: 1778-802. PMID 22290878 DOI: 10.1002/Anie.201102762  0.363
2012 Agniswamy J, Sayer JM, Weber IT, Louis JM. Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease. Biochemistry. 51: 1041-50. PMID 22242794 DOI: 10.1021/Bi201809S  0.454
2012 Tie Y, Wang YF, Boross PI, Chiu TY, Ghosh AK, Tozser J, Louis JM, Harrison RW, Weber IT. Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Science : a Publication of the Protein Society. 21: 339-50. PMID 22238126 DOI: 10.1002/Pro.2019  0.747
2012 Ghosh AK, Anderson DD, Weber IT, Mitsuya H. Verstärkung der Bindung an das Proteinrückgrat - ein fruchtbares Konzept gegen die Arzneimittelresistenz von HIV Angewandte Chemie. 124: 1812-1838. DOI: 10.1002/Ange.201102762  0.37
2011 Ghosh AK, Martyr CD, Steffey M, Wang YF, Agniswamy J, Amano M, Weber IT, Mitsuya H. Design of substituted bis-Tetrahydrofuran (bis-THF)-derived Potent HIV-1 Protease Inhibitors, Protein-ligand X-ray Structure, and Convenient Syntheses of bis-THF and Substituted bis-THF Ligands. Acs Medicinal Chemistry Letters. 2: 298-302. PMID 22509432 DOI: 10.1021/Ml100289M  0.47
2011 Ghosh AK, Chapsal BD, Parham GL, Steffey M, Agniswamy J, Wang YF, Amano M, Weber IT, Mitsuya H. Design of HIV-1 protease inhibitors with C3-substituted hexahydrocyclopentafuranyl urethanes as P2-ligands: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. Journal of Medicinal Chemistry. 54: 5890-901. PMID 21800876 DOI: 10.1021/Jm200649P  0.504
2011 Fu G, Yuan H, Wang S, Gadda G, Weber IT. Atomic-resolution structure of an N5 flavin adduct in D-arginine dehydrogenase. Biochemistry. 50: 6292-4. PMID 21707047 DOI: 10.1021/Bi200831A  0.755
2011 Louis JM, Aniana A, Weber IT, Sayer JM. Inhibition of autoprocessing of natural variants and multidrug resistant mutant precursors of HIV-1 protease by clinical inhibitors. Proceedings of the National Academy of Sciences of the United States of America. 108: 9072-7. PMID 21576495 DOI: 10.1073/Pnas.1102278108  0.445
2011 Louis JM, Zhang Y, Sayer JM, Wang YF, Harrison RW, Weber IT. The L76V drug resistance mutation decreases the dimer stability and rate of autoprocessing of HIV-1 protease by reducing internal hydrophobic contacts. Biochemistry. 50: 4786-95. PMID 21446746 DOI: 10.1021/Bi200033Z  0.463
2010 Yuan H, Fu G, Brooks PT, Weber I, Gadda G. Steady-state kinetic mechanism and reductive half-reaction of D-arginine dehydrogenase from Pseudomonas aeruginosa. Biochemistry. 49: 9542-50. PMID 20932054 DOI: 10.1021/Bi101420W  0.748
2010 Ghosh AK, Xu CX, Rao KV, Baldridge A, Agniswamy J, Wang YF, Weber IT, Aoki M, Miguel SG, Amano M, Mitsuya H. Probing multidrug-resistance and protein-ligand interactions with oxatricyclic designed ligands in HIV-1 protease inhibitors. Chemmedchem. 5: 1850-4. PMID 20827746 DOI: 10.1002/Cmdc.201000318  0.449
2010 Fu G, Yuan H, Li C, Lu CD, Gadda G, Weber IT. Conformational changes and substrate recognition in Pseudomonas aeruginosa D-arginine dehydrogenase. Biochemistry. 49: 8535-45. PMID 20809650 DOI: 10.1021/Bi1005865  0.79
2010 Sayer JM, Agniswamy J, Weber IT, Louis JM. Autocatalytic maturation, physical/chemical properties, and crystal structure of group N HIV-1 protease: relevance to drug resistance. Protein Science : a Publication of the Protein Society. 19: 2055-72. PMID 20737578 DOI: 10.1002/Pro.486  0.448
2010 Shen CH, Wang YF, Kovalevsky AY, Harrison RW, Weber IT. Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. The Febs Journal. 277: 3699-714. PMID 20695887 DOI: 10.1111/J.1742-4658.2010.07771.X  0.492
2010 Finnegan S, Yuan H, Wang YF, Orville AM, Weber IT, Gadda G. Structural and kinetic studies on the Ser101Ala variant of choline oxidase: catalysis by compromise. Archives of Biochemistry and Biophysics. 501: 207-13. PMID 20561507 DOI: 10.1016/J.Abb.2010.06.014  0.336
2010 Finnegan S, Agniswamy J, Weber IT, Gadda G. Role of valine 464 in the flavin oxidation reaction catalyzed by choline oxidase. Biochemistry. 49: 2952-61. PMID 20184377 DOI: 10.1021/Bi902048C  0.355
2010 Ishima R, Gong Q, Tie Y, Weber IT, Louis JM. Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease. Proteins. 78: 1015-25. PMID 19899162 DOI: 10.1002/Prot.22625  0.732
2010 Ghosh AK, Xu C, Rao KV, Baldridge A, Agniswamy J, Wang Y, Weber IT, Aoki M, Miguel SGP, Amano M, Mitsuya H. Cover Picture: Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors (ChemMedChem 11/2010) Chemmedchem. 5: 1797-1797. DOI: 10.1002/Cmdc.201090049  0.421
2009 Weber IT, Agniswamy J. HIV-1 Protease: Structural Perspectives on Drug Resistance. Viruses. 1: 1110-36. PMID 21994585 DOI: 10.3390/v1031110  0.372
2009 Ghosh AK, Kulkarni S, Anderson DD, Hong L, Baldridge A, Wang YF, Chumanevich AA, Kovalevsky AY, Tojo Y, Amano M, Koh Y, Tang J, Weber IT, Mitsuya H. Design, synthesis, protein-ligand X-ray structure, and biological evaluation of a series of novel macrocyclic human immunodeficiency virus-1 protease inhibitors to combat drug resistance. Journal of Medicinal Chemistry. 52: 7689-705. PMID 19746963 DOI: 10.1021/Jm900695W  0.48
2009 Agniswamy J, Fang B, Weber IT. Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7. Apoptosis : An International Journal On Programmed Cell Death. 14: 1135-44. PMID 19655253 DOI: 10.1007/S10495-009-0388-9  0.567
2009 Ghosh AK, Leshchenko-Yashchuk S, Anderson DD, Baldridge A, Noetzel M, Miller HB, Tie Y, Wang YF, Koh Y, Weber IT, Mitsuya H. Design of HIV-1 protease inhibitors with pyrrolidinones and oxazolidinones as novel P1'-ligands to enhance backbone-binding interactions with protease: synthesis, biological evaluation, and protein-ligand X-ray studies. Journal of Medicinal Chemistry. 52: 3902-14. PMID 19473017 DOI: 10.1021/Jm900303M  0.73
2009 Fang B, Fu G, Agniswamy J, Harrison RW, Weber IT. Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis : An International Journal On Programmed Cell Death. 14: 741-52. PMID 19283487 DOI: 10.1007/S10495-009-0333-Y  0.798
2009 Boross P, Bagossi P, Weber IT, Tözsér J. Drug targets in human T-lymphotropic virus type 1 (HTLV-1) infection. Infectious Disorders Drug Targets. 9: 159-71. PMID 19275704 DOI: 10.2174/187152609787847686  0.319
2009 Dolan J, Chen A, Weber IT, Harrison RW, Leis J. Defining the DNA substrate binding sites on HIV-1 integrase. Journal of Molecular Biology. 385: 568-79. PMID 19014951 DOI: 10.1016/J.Jmb.2008.10.083  0.439
2008 Weber IT, Fang B, Agniswamy J. Caspases: structure-guided design of drugs to control cell death. Mini Reviews in Medicinal Chemistry. 8: 1154-62. PMID 18855730 DOI: 10.2174/138955708785909899  0.514
2008 Ghosh AK, Gemma S, Takayama J, Baldridge A, Leshchenko-Yashchuk S, Miller HB, Wang YF, Kovalevsky AY, Koh Y, Weber IT, Mitsuya H. Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies. Organic & Biomolecular Chemistry. 6: 3703-13. PMID 18843400 DOI: 10.1039/B809178A  0.475
2008 Kovalevsky AY, Louis JM, Aniana A, Ghosh AK, Weber IT. Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease. Journal of Molecular Biology. 384: 178-92. PMID 18834890 DOI: 10.1016/J.Jmb.2008.09.031  0.504
2008 Kovalevsky AY, Ghosh AK, Weber IT. Solution kinetics measurements suggest HIV-1 protease has two binding sites for darunavir and amprenavir. Journal of Medicinal Chemistry. 51: 6599-603. PMID 18808097 DOI: 10.1021/Jm800283K  0.438
2008 Ghosh AK, Gemma S, Baldridge A, Wang YF, Kovalevsky AY, Koh Y, Weber IT, Mitsuya H. Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies. Journal of Medicinal Chemistry. 51: 6021-33. PMID 18783203 DOI: 10.1021/Jm8004543  0.489
2008 Fu G, Chumanevich AA, Agniswamy J, Fang B, Harrison RW, Weber IT. Structural basis for executioner caspase recognition of P5 position in substrates. Apoptosis : An International Journal On Programmed Cell Death. 13: 1291-302. PMID 18780184 DOI: 10.1007/S10495-008-0259-9  0.789
2008 Eizert H, Bander P, Bagossi P, Sperka T, Miklóssy G, Boross P, Weber IT, Tözsér J. Amino acid preferences of retroviral proteases for amino-terminal positions in a type 1 cleavage site. Journal of Virology. 82: 10111-7. PMID 18701588 DOI: 10.1128/Jvi.00418-08  0.391
2008 Kádas J, Boross P, Weber IT, Bagossi P, Matúz K, Tözsér J. C-terminal residues of mature human T-lymphotropic virus type 1 protease are critical for dimerization and catalytic activity. The Biochemical Journal. 416: 357-64. PMID 18636969 DOI: 10.1042/Bj20071132  0.413
2008 Liu F, Kovalevsky AY, Tie Y, Ghosh AK, Harrison RW, Weber IT. Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. Journal of Molecular Biology. 381: 102-15. PMID 18597780 DOI: 10.1016/J.Jmb.2008.05.062  0.812
2008 Sayer JM, Liu F, Ishima R, Weber IT, Louis JM. Effect of the active site D25N mutation on the structure, stability, and ligand binding of the mature HIV-1 protease. The Journal of Biological Chemistry. 283: 13459-70. PMID 18281688 DOI: 10.1074/Jbc.M708506200  0.74
2008 Ghosh AK, Chapsal BD, Weber IT, Mitsuya H. Design of HIV protease inhibitors targeting protein backbone: an effective strategy for combating drug resistance. Accounts of Chemical Research. 41: 78-86. PMID 17722874 DOI: 10.1021/Ar7001232  0.428
2007 Liu P, Ewis HE, Huang YJ, Lu CD, Tai PC, Weber IT. Structure of Bacillus subtilis superoxide dismutase. Acta Crystallographica. Section F, Structural Biology and Crystallization Communications. 63: 1003-7. PMID 18084079 DOI: 10.1107/S1744309107054127  0.432
2007 Kovalevsky AY, Chumanevich AA, Liu F, Louis JM, Weber IT. 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. Biochemistry. 46: 14854-64. PMID 18052235 DOI: 10.1021/Bi700822G  0.743
2007 Agniswamy J, Fang B, Weber IT. Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis. The Febs Journal. 274: 4752-65. PMID 17697120 DOI: 10.1111/J.1742-4658.2007.05994.X  0.59
2007 Wang YF, Tie Y, Boross PI, Tozser J, Ghosh AK, Harrison RW, Weber IT. Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease. Journal of Medicinal Chemistry. 50: 4509-15. PMID 17696515 DOI: 10.1021/Jm070482Q  0.738
2007 Louis JM, Ishima R, Torchia DA, Weber IT. HIV-1 protease: structure, dynamics, and inhibition. Advances in Pharmacology (San Diego, Calif.). 55: 261-98. PMID 17586318 DOI: 10.1016/S1054-3589(07)55008-8  0.508
2007 Sperka T, Miklóssy G, Tie Y, Bagossi P, Zahuczky G, Boross P, Matúz K, Harrison RW, Weber IT, Tözsér J. Bovine leukemia virus protease: comparison with human T-lymphotropic virus and human immunodeficiency virus proteases. The Journal of General Virology. 88: 2052-63. PMID 17554040 DOI: 10.1099/Vir.0.82704-0  0.711
2007 Volarath P, Harrison RW, Weber IT. Structure based drug design for HIV protease: from molecular modeling to cheminformatics. Current Topics in Medicinal Chemistry. 7: 1030-8. PMID 17508936 DOI: 10.2174/156802607780906744  0.412
2007 Tözsér J, Weber IT. The protease of human T-cell leukemia virus type-1 is a potential therapeutic target. Current Pharmaceutical Design. 13: 1285-94. PMID 17504236 DOI: 10.2174/138161207780618849  0.442
2007 Amano M, Koh Y, Das D, Li J, Leschenko S, Wang YF, Boross PI, Weber IT, Ghosh AK, Mitsuya H. A novel bis-tetrahydrofuranylurethane-containing nonpeptidic protease inhibitor (PI), GRL-98065, is potent against multiple-PI-resistant human immunodeficiency virus in vitro. Antimicrobial Agents and Chemotherapy. 51: 2143-55. PMID 17371811 DOI: 10.1128/Aac.01413-06  0.452
2007 Tie Y, Kovalevsky AY, Boross P, Wang YF, Ghosh AK, Tozser J, Harrison RW, Weber IT. Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins. 67: 232-42. PMID 17243183 DOI: 10.1002/Prot.21304  0.749
2007 Liu P, Ewis HE, Tai PC, Lu CD, Weber IT. Crystal structure of the Geobacillus stearothermophilus carboxylesterase Est55 and its activation of prodrug CPT-11. Journal of Molecular Biology. 367: 212-23. PMID 17239398 DOI: 10.1016/J.Jmb.2006.12.067  0.417
2007 Kovalevsky AY, Liu F, Leshchenko S, Ghosh AK, Louis JM, Harrison RW, Weber IT. Corrigendum to "Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114" [J. Mol. Biol. 363 (2006) 161-173] (DOI:10.1016/j.jmb.2006.08.007) Journal of Molecular Biology. 365: 901. DOI: 10.1016/J.Jmb.2006.08.099  0.741
2006 Guo X, Chen X, Weber IT, Harrison RW, Tai PC. Molecular basis for differential nucleotide binding of the nucleotide-binding domain of ABC-transporter CvaB. Biochemistry. 45: 14473-80. PMID 17128986 DOI: 10.1021/Bi061506I  0.345
2006 Kovalevsky AY, Liu F, Leshchenko S, Ghosh AK, Louis JM, Harrison RW, Weber IT. Ultra-high resolution crystal structure of HIV-1 protease mutant reveals two binding sites for clinical inhibitor TMC114. Journal of Molecular Biology. 363: 161-73. PMID 16962136 DOI: 10.1016/J.Jmb.2006.08.007  0.731
2006 Ghosh AK, Ramu Sridhar P, Kumaragurubaran N, Koh Y, Weber IT, Mitsuya H. Bis-tetrahydrofuran: a privileged ligand for darunavir and a new generation of hiv protease inhibitors that combat drug resistance. Chemmedchem. 1: 939-50. PMID 16927344 DOI: 10.1002/Cmdc.200600103  0.37
2006 Ghosh AK, Sridhar PR, Leshchenko S, Hussain AK, Li J, Kovalevsky AY, Walters DE, Wedekind JE, Grum-Tokars V, Das D, Koh Y, Maeda K, Gatanaga H, Weber IT, Mitsuya H. Structure-based design of novel HIV-1 protease inhibitors to combat drug resistance. Journal of Medicinal Chemistry. 49: 5252-61. PMID 16913714 DOI: 10.1021/Jm060561M  0.41
2006 Fang B, Boross PI, Tozser J, Weber IT. Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition. Journal of Molecular Biology. 360: 654-66. PMID 16781734 DOI: 10.1016/J.Jmb.2006.05.041  0.572
2006 Fehér A, Boross P, Sperka T, Miklóssy G, Kádas J, Bagossi P, Oroszlan S, Weber IT, Tözsér J. Characterization of the murine leukemia virus protease and its comparison with the human immunodeficiency virus type 1 protease. The Journal of General Virology. 87: 1321-30. PMID 16603535 DOI: 10.1099/Vir.0.81382-0  0.412
2006 Liu F, Kovalevsky AY, Louis JM, Boross PI, Wang YF, Harrison RW, Weber IT. Mechanism of drug resistance revealed by the crystal structure of the unliganded HIV-1 protease with F53L mutation. Journal of Molecular Biology. 358: 1191-9. PMID 16569415 DOI: 10.1016/J.Jmb.2006.02.076  0.734
2006 Kovalevsky AY, Tie Y, Liu F, Boross PI, Wang YF, Leshchenko S, Ghosh AK, Harrison RW, Weber IT. Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M. Journal of Medicinal Chemistry. 49: 1379-87. PMID 16480273 DOI: 10.1021/Jm050943C  0.819
2006 Chen A, Weber IT, Harrison RW, Leis J. Identification of amino acids in HIV-1 and avian sarcoma virus integrase subsites required for specific recognition of the long terminal repeat Ends. The Journal of Biological Chemistry. 281: 4173-82. PMID 16298997 DOI: 10.1074/Jbc.M510628200  0.445
2005 Liu F, Boross PI, Wang YF, Tozser J, Louis JM, Harrison RW, Weber IT. Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. Journal of Molecular Biology. 354: 789-800. PMID 16277992 DOI: 10.1016/J.Jmb.2005.09.095  0.732
2005 Tie Y, Boross PI, Wang YF, Gaddis L, Liu F, Chen X, Tozser J, Harrison RW, Weber IT. Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. The Febs Journal. 272: 5265-77. PMID 16218957 DOI: 10.1111/J.1742-4658.2005.04923.X  0.814
2005 Vana ML, Chen A, 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. Retrovirology. 2: 58. PMID 16188035 DOI: 10.1186/1742-4690-2-58  0.323
2005 Lubkowski J, Wlodawer A, Housset D, Weber IT, Ammon HL, Murphy KC, Swain AL. Refined crystal structure of Acinetobacter glutaminasificans glutaminase-asparaginase. Acta Crystallographica. Section D, Biological Crystallography. 50: 826-32. PMID 15299349 DOI: 10.1107/S0907444994003446  0.397
2004 Chen X, Weber IT, Harrison RW. Molecular dynamics simulations of 14 HIV protease mutants in complexes with indinavir. Journal of Molecular Modeling. 10: 373-81. PMID 15597206 DOI: 10.1007/S00894-004-0205-X  0.449
2004 Liu P, Wang YF, Ewis HE, Abdelal AT, Lu CD, Harrison RW, Weber IT. Covalent reaction intermediate revealed in crystal structure of the Geobacillus stearothermophilus carboxylesterase Est30. Journal of Molecular Biology. 342: 551-61. PMID 15327954 DOI: 10.1016/J.Jmb.2004.06.069  0.409
2004 Bagossi P, Kádas J, Miklóssy G, Boross P, Weber IT, Tözsér J. Development of a microtiter plate fluorescent assay for inhibition studies on the HTLV-1 and HIV-1 proteinases. Journal of Virological Methods. 119: 87-93. PMID 15158589 DOI: 10.1016/J.Jviromet.2004.03.001  0.411
2004 Kádas J, Weber IT, Bagossi P, Miklóssy G, Boross P, Oroszlan S, Tözsér J. Narrow substrate specificity and sensitivity toward ligand-binding site mutations of human T-cell Leukemia virus type 1 protease. The Journal of Biological Chemistry. 279: 27148-57. PMID 15102858 DOI: 10.1074/Jbc.M401868200  0.485
2004 Tie Y, Boross PI, Wang YF, Gaddis L, Hussain AK, Leshchenko S, Ghosh AK, Louis JM, Harrison RW, Weber IT. High resolution crystal structures of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) active against multi-drug-resistant clinical strains. Journal of Molecular Biology. 338: 341-52. PMID 15066436 DOI: 10.1016/J.Jmb.2004.02.052  0.743
2004 Mahalingam B, Wang YF, Boross PI, Tozser J, Louis JM, Harrison RW, Weber IT. Crystal structures of HIV protease V82A and L90M mutants reveal changes in the indinavir-binding site. European Journal of Biochemistry / Febs. 271: 1516-24. PMID 15066177 DOI: 10.1111/J.1432-1033.2004.04060.X  0.51
2004 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 Research and Human Retroviruses. 20: 135-44. PMID 15018700 DOI: 10.1089/088922204773004842  0.42
2003 Petock JM, Torshin IY, Weber IT, Harrison RW. Analysis of protein structures reveals regions of rare backbone conformation at functional sites. Proteins. 53: 872-9. PMID 14635129 DOI: 10.1002/Prot.10484  0.784
2003 Koh Y, Nakata H, Maeda K, Ogata H, Bilcer G, Devasamudram T, Kincaid JF, Boross P, Wang YF, Tie Y, Volarath P, Gaddis L, Harrison RW, Weber IT, Ghosh AK, et al. Novel bis-tetrahydrofuranylurethane-containing nonpeptidic protease inhibitor (PI) UIC-94017 (TMC114) with potent activity against multi-PI-resistant human immunodeficiency virus in vitro. Antimicrobial Agents and Chemotherapy. 47: 3123-9. PMID 14506019 DOI: 10.1128/Aac.47.10.3123-3129.2003  0.673
2003 Liu P, Wang YF, Ewis HE, Abdelal A, Lu CD, Weber IT. Crystallization and preliminary X-ray diffraction data for the carboxylesterase Est30 from Bacillus stearothermophilus. Acta Crystallographica. Section D, Biological Crystallography. 59: 1472-3. PMID 12876355 DOI: 10.1107/S0907444903011405  0.33
2003 Torshin IY, Harrison RW, Weber IT. Close pairs of carboxylates: a possibility of multicenter hydrogen bonds in proteins. Protein Engineering. 16: 201-7. PMID 12702800 DOI: 10.1093/Proeng/Gzg027  0.335
2002 Torshin IY, Harrison RW, Weber IT, Petock JM. Identification of Protein Folding Cores Using Charge Center Model of Protein Structure. Thescientificworldjournal. 2: 84-86. PMID 29973814 DOI: 10.1100/Tsw.2002.40  0.773
2002 Petock JM, Torshin IY, Wang YF, Du Bois GC, Croce CM, Harrison RW, Weber IT. Crystal structures of Tcl1 family oncoproteins and their conserved surface features. Thescientificworldjournal. 2: 1876-84. PMID 12920316 DOI: 10.1100/Tsw.2002.826  0.775
2002 Fehér A, Weber IT, Bagossi P, Boross P, Mahalingam B, Louis JM, Copeland TD, Torshin IY, Harrison RW, Tözsér J. Effect of sequence polymorphism and drug resistance on two HIV-1 Gag processing sites. European Journal of Biochemistry / Febs. 269: 4114-20. PMID 12180988 DOI: 10.1046/J.1432-1033.2002.03105.X  0.448
2002 Mahalingam B, Boross P, Wang YF, Louis JM, Fischer CC, Tozser J, Harrison RW, Weber IT. Combining mutations in HIV-1 protease to understand mechanisms of resistance. Proteins. 48: 107-16. PMID 12012342 DOI: 10.1002/prot.10140  0.376
2002 Cartas M, Singh SP, Serio D, Rizvi TA, Kalyanaraman VS, Goldsmith CS, Zaki SR, Weber IT, Srinivasan A. Intravirion display of a peptide corresponding to the dimer structure of protease attenuates HIV-1 replication. Dna and Cell Biology. 20: 797-805. PMID 11879573 DOI: 10.1089/104454901753438615  0.417
2001 Petock JM, Torshin IY, Wang YF, Du Bois GC, Croce CM, Harrison RW, Weber IT. Structure of murine Tcl1 at 2.5 A resolution and implications for the TCL oncogene family. Acta Crystallographica. Section D, Biological Crystallography. 57: 1545-51. PMID 11679718 DOI: 10.1107/S090744490101352X  0.782
2001 Scott SP, Weber IT, Harrison RW, Carey J, Tanaka JC. A functioning chimera of the cyclic nucleotide-binding domain from the bovine retinal rod ion channel and the DNA-binding domain from catabolite gene-activating protein. Biochemistry. 40: 7464-73. PMID 11412099 DOI: 10.1021/Bi002804X  0.358
2001 Mahalingam B, Louis JM, Hung J, Harrison RW, Weber IT. Structural implications of drug-resistant mutants of HIV-1 protease: high-resolution crystal structures of the mutant protease/substrate analogue complexes. Proteins. 43: 455-64. PMID 11340661 DOI: 10.1002/PROT.1057  0.458
2001 Petock JM, Wang YF, DuBois GC, Harrison RW, Weber IT. Effects of different post-crystallization soaking conditions on the diffraction of Mtcp1 crystals. Acta Crystallographica. Section D, Biological Crystallography. 57: 763-5. PMID 11320330 DOI: 10.1107/S0907444901002505  0.758
2000 Tözsér J, Zahuczky G, Bagossi P, Louis JM, Copeland TD, Oroszlan S, Harrison RW, Weber IT. Comparison of the substrate specificity of the human T-cell leukemia virus and human immunodeficiency virus proteinases. European Journal of Biochemistry. 267: 6287-95. PMID 11012683 DOI: 10.1046/j.1432-1327.2000.01714.x  0.37
2000 Serio D, Singh SP, Cartas MA, Weber IT, Harrison RW, Louis JM, Srinivasan A. Antiviral agent based on the non-structural protein targeting the maturation process of HIV-1: expression and susceptibility of chimeric Vpr as a substrate for cleavage by HIV-1 protease. Protein Engineering. 13: 431-6. PMID 10877854 DOI: 10.1093/Protein/13.6.431  0.409
1999 Mahalingam B, Cuesta-Munoz A, Davis EA, Matschinsky FM, Harrison RW, Weber IT. Structural model of human glucokinase in complex with glucose and ATP: implications for the mutants that cause hypo- and hyperglycemia. Diabetes. 48: 1698-705. PMID 10480597 DOI: 10.2337/Diabetes.48.9.1698  0.398
1999 Mahalingam B, Louis JM, Reed CC, Adomat JM, Krouse J, Wang YF, Harrison RW, Weber IT. Structural and kinetic analysis of drug resistant mutants of HIV-1 protease. European Journal of Biochemistry. 263: 238-45. PMID 10429209 DOI: 10.1046/j.1432-1327.1999.00514.x  0.364
1999 Serio D, Weber IT, Harrison RW, Louis JM, Srinivasan A. Epitope-based assay to determine the efficiency of cleavage by HIV-1 protease. Biotechniques. 26: 242-4, 246. PMID 10023533 DOI: 10.2144/99262Bm13  0.375
1998 Ridky TW, Kikonyogo A, Leis J, Gulnik S, Copeland T, Erickson J, Wlodawer A, Kurinov I, Harrison RW, Weber IT. Drug-resistant HIV-1 proteases identify enzyme residues important for substrate selection and catalytic rate. Biochemistry. 37: 13835-45. PMID 9753473 DOI: 10.1021/Bi980612K  0.412
1998 Wu J, Adomat JM, Ridky TW, Louis JM, Leis J, Harrison RW, Weber IT. Structural basis for specificity of retroviral proteases. Biochemistry. 37: 4518-26. PMID 9521772 DOI: 10.1021/Bi972183G  0.461
1998 Fu ZQ, Du Bois GC, Song SP, Kulikovskaya I, Virgilio L, Rothstein JL, Croce CM, Weber IT, Harrison RW. Crystal structure of MTCP-1: implications for role of TCL-1 and MTCP-1 in T cell malignancies. Proceedings of the National Academy of Sciences of the United States of America. 95: 3413-8. PMID 9520380 DOI: 10.1073/Pnas.95.7.3413  0.394
1998 Reed C, Fu ZQ, Wu J, Xue YN, Harrison RW, Chen MJ, Weber IT. Crystal structure of TNF-alpha mutant R31D with greater affinity for receptor R1 compared with R2. Protein Engineering. 10: 1101-7. PMID 9488135 DOI: 10.1093/Protein/10.10.1101  0.333
1997 Weber IT, Wu J, Adomat J, Harrison RW, Kimmel AR, Wondrak EM, Louis JM. Crystallographic analysis of human immunodeficiency virus 1 protease with an analog of the conserved CA-p2 substrate -- interactions with frequently occurring glutamic acid residue at P2' position of substrates. European Journal of Biochemistry. 249: 523-30. PMID 9370363 DOI: 10.1111/j.1432-1033.1997.00523.x  0.373
1997 Tözsér J, Bagossi P, Weber IT, Louis JM, Copeland TD, Oroszlan S. Studies on the symmetry and sequence context dependence of the HIV-1 proteinase specificity. The Journal of Biological Chemistry. 272: 16807-14. PMID 9201986 DOI: 10.1074/jbc.272.27.16807  0.318
1997 Serio D, Rizvi TA, Cartas M, Kalyanaraman VS, Weber IT, Koprowski H, Srinivasan A. Development of a novel anti-HIV-1 agent from within: Effect of chimeric Vpr-containing protease cleavage site residues on virus replication Proceedings of the National Academy of Sciences of the United States of America. 94: 3346-3351. PMID 9096396 DOI: 10.1073/Pnas.94.7.3346  0.384
1997 Tözsér J, Yin FH, Cheng YS, Bagossi P, Weber IT, Harrison RW, Oroszlan S. Activity of tethered human immunodeficiency virus 1 protease containing mutations in the flap region of one subunit. European Journal of Biochemistry. 244: 235-41. PMID 9063469 DOI: 10.1111/j.1432-1033.1997.00235.x  0.344
1997 Weber IT, Harrison RW. Molecular mechanics calculations on HIV-1 protease with peptide substrates correlate with experimental data. Protein Engineering. 9: 679-90. PMID 8875645 DOI: 10.1093/Protein/9.8.679  0.46
1997 Harrison RW, Reed CC, Weber IT. Analysis of comparative modeling predictions for CASP2 targets 1, 3, 9, and 17 Proteins: Structure, Function, and Genetics. 29: 68-73. DOI: 10.1002/(Sici)1097-0134(1997)1+<68::Aid-Prot10>3.0.Co;2-P  0.301
1996 Scott SP, Harrison RW, Weber IT, Tanaka JC. Predicted ligand interactions of 3'5'-cyclic nucleotide-gated channel binding sites: comparison of retina and olfactory binding site models. Protein Engineering. 9: 333-44. PMID 8738209 DOI: 10.1093/Protein/9.4.333  0.364
1996 Tözsér J, Bagossi P, Weber IT, Copeland TD, Oroszlan S. Comparative studies on the substrate specificity of avian myeloblastosis virus proteinase and lentiviral proteinases. The Journal of Biological Chemistry. 271: 6781-8. PMID 8636100 DOI: 10.1074/jbc.271.12.6781  0.318
1996 Ridky TW, Bizub-Bender D, Cameron CE, Weber IT, Wlodawer A, Copeland T, Skalka AM, Leis J. Programming the Rous sarcoma virus protease to cleave new substrate sequences. The Journal of Biological Chemistry. 271: 10538-44. PMID 8631853 DOI: 10.1074/Jbc.271.18.10538  0.328
1996 Menéndez-Arias L, Weber IT, Oroszlan S. Mutational analysis of the substrate binding pocket of murine leukemia virus protease and comparison with human immunodeficiency virus proteases. The Journal of Biological Chemistry. 270: 29162-8. PMID 7493942 DOI: 10.1074/jbc.270.49.29162  0.358
1995 Cameron CE, Burstein H, Bizub-Bender D, Ridky T, Weber IT, Wlodawer A, Skalka AM, Leis J. Identification of amino acid residues of the retroviral aspartic proteinases important for substrate specificity and catalytic efficiency. Advances in Experimental Medicine and Biology. 362: 399-406. PMID 8540349 DOI: 10.1007/978-1-4615-1871-6_52  0.309
1995 Xu LZ, Weber IT, Harrison RW, Gidh-Jain M, Pilkis SJ. Sugar specificity of human beta-cell glucokinase: correlation of molecular models with kinetic measurements. Biochemistry. 34: 6083-92. PMID 7742312 DOI: 10.1021/Bi00018A011  0.322
1995 Harrison RW, Weber IT. Molecular dynamics simulations of HIV-1 protease with peptide substrate. Protein Engineering. 7: 1353-63. PMID 7700867 DOI: 10.1093/Protein/7.11.1353  0.379
1994 St Charles R, Harrison RW, Bell GI, Pilkis SJ, Weber IT. Molecular model of human beta-cell glucokinase built by analogy to the crystal structure of yeast hexokinase B. Diabetes. 43: 784-91. PMID 8194664 DOI: 10.2337/Diab.43.6.784  0.32
1994 Gustchina A, Sansom C, Prevost M, Richelle J, Wodak SY, Wlodawer A, Weber IT. Energy calculations and analysis of HIV-1 protease-inhibitor crystal structures. Protein Engineering. 7: 309-17. PMID 8177879 DOI: 10.1093/Protein/7.3.309  0.472
1994 Ammon HL, Weber IT, Wlodawer A, Harrison RW, Gilliland GL, Murphy KC, Sjölin L, Roberts J. Preliminary crystal structure of Acinetobacter glutaminasificans glutaminase-asparaginase. Journal of Biological Chemistry. 263: 150-156. DOI: 10.2210/Pdb1Agx/Pdb  0.392
1993 Weber IT, Tözsér J, Wu J, Friedman D, Oroszlan S. Molecular model of equine infectious anemia virus proteinase and kinetic measurements for peptide substrates with single amino acid substitutions. Biochemistry. 32: 3354-62. PMID 8384880 DOI: 10.1021/bi00064a019  0.345
1993 Tözsér J, Friedman D, Weber IT, Bláha I, Oroszlan S. Studies on the substrate specificity of the proteinase of equine infectious anemia virus using oligopeptide substrates. Biochemistry. 32: 3347-53. PMID 8384879 DOI: 10.1021/bi00064a018  0.328
1993 Sansom CE, Wu J, Weber IT. Molecular mechanics analysis of inhibitor binding to HIV-1 protease. Protein Engineering. 5: 659-67. PMID 1480620 DOI: 10.1093/Protein/5.7.659  0.408
1992 Gustchina A, Weber IT, Wlodawer A. Molecular modeling of the HIV-2 protease. Advances in Experimental Medicine and Biology. 306: 549-53. PMID 1812757 DOI: 10.1007/978-1-4684-6012-4_75  0.414
1992 Weber IT. Modeling of structure of human immunodeficiency virus-1 protease with substrate based on crystal structure of Rous sarcoma virus protease. Methods in Enzymology. 202: 727-41. PMID 1784196 DOI: 10.1016/0076-6879(91)02034-7  0.513
1992 Kumar VD, Harrison RW, Andrews LC, Weber IT. Crystal structure at 1.5-A resolution of d(CGCICICG), an octanucleotide containing inosine, and its comparison with d(CGCG) and d(CGCGCG) structures. Biochemistry. 31: 1541-50. PMID 1737011 DOI: 10.1021/Bi00120A035  0.363
1992 Kumar VD, Weber IT. Molecular model of the cyclic GMP-binding domain of the cyclic GMP-gated ion channel. Biochemistry. 31: 4643-9. PMID 1316156 DOI: 10.1021/Bi00134A015  0.369
1991 Tözsér J, Gustchina A, Weber IT, Blaha I, Wondrak EM, Oroszlan S. Studies on the role of the S4 substrate binding site of HIV proteinases. Febs Letters. 279: 356-60. PMID 2001747 DOI: 10.1016/0014-5793(91)80186-7  0.45
1991 Gustchina A, Weber IT. Comparative analysis of the sequences and structures of HIV-1 and HIV-2 proteases. Proteins. 10: 325-39. PMID 1946342 DOI: 10.1002/prot.340100406  0.334
1990 Gustchina A, Weber IT. Comparison of inhibitor binding in HIV-1 protease and in non-viral aspartic proteases: the role of the flap. Febs Letters. 269: 269-72. PMID 2201571 DOI: 10.1016/0014-5793(90)81171-J  0.481
1990 Weber IT. Evaluation of homology modeling of HIV protease. Proteins. 7: 172-84. PMID 2158092 DOI: 10.1002/Prot.340070206  0.49
1989 Weber IT, Shabb JB, Corbin JD. Predicted structures of the cGMP binding domains of the cGMP-dependent protein kinase: a key alanine/threonine difference in evolutionary divergence of cAMP and cGMP binding sites. Biochemistry. 28: 6122-7. PMID 2550070 DOI: 10.1021/Bi00440A059  0.375
1989 Vaney MC, Gilliland GL, Harman JG, Peterkofsky A, Weber IT. Crystal structure of a cAMP-independent form of catabolite gene activator protein with adenosine substituted in one of two cAMP-binding sites Biochemistry. 28: 4568-4574. PMID 2548582 DOI: 10.1021/Bi00437A010  0.408
1989 Wlodawer A, Miller M, Jaskólski M, Sathyanarayana BK, Baldwin E, Weber IT, Selk LM, Clawson L, Schneider J, Kent SB. Conserved folding in retroviral proteases: crystal structure of a synthetic HIV-1 protease. Science (New York, N.Y.). 245: 616-21. PMID 2548279 DOI: 10.1126/Science.2548279  0.412
1989 Weber IT, Miller M, Jaskólski M, Leis J, Skalka AM, Wlodawer A. Molecular modeling of the HIV-1 protease and its substrate binding site Science. 243: 928-931. PMID 2537531 DOI: 10.1126/Science.2537531  0.391
1988 Weber IT. Crystallizing catabolite gene activator protein with cAMP for structural analysis. Methods in Enzymology. 159: 278-85. PMID 2842595 DOI: 10.1016/0076-6879(88)59028-6  0.386
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