| Capturing the reaction pathway in near-atomic-resolution crystal structures of HIV-1 protease. Shen C.H., Tie Y., Yu X., Wang Y.F., Kovalevsky A.Y., Harrison R.W., Weber I.T.
Biochemistry 51:7726-7732(2012) · Mapped (2) |
| HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements. Agniswamy J., Shen C.H., Aniana A., Sayer J.M., Louis J.M., Weber I.T.
Biochemistry 51:2819-2828(2012) · Mapped (1) |
| Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors. Ghosh A.K., Chapsal B.D., Steffey M., Agniswamy J., Wang Y.F., Amano M., Weber I.T., Mitsuya H.
Bioorg. Med. Chem. Lett. 22:2308-2311(2012) · Mapped (1) |
| Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease. Agniswamy J., Sayer J.M., Weber I.T., Louis J.M.
Biochemistry 51:1041-1050(2012) · Mapped (4) |
| Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Tie Y., Wang Y.F., Boross P.I., Chiu T.Y., Ghosh A.K., Tozser J., Louis J.M., Harrison R.W., Weber I.T.
Protein Sci. 21:339-350(2012) · UniProtKB (3) |
| Design of HIV-1 protease inhibitors with C3-substituted hexahydrocyclopentafuranyl urethanes as P2-ligands: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. Ghosh A.K., Chapsal B.D., Parham G.L., Steffey M., Agniswamy J., Wang Y.F., Amano M., Weber I.T., Mitsuya H.
J. Med. Chem. 54:5890-5901(2011) · Mapped (3) |
| Atomic-resolution structure of an N5 flavin adduct in D-arginine dehydrogenase. Fu G., Yuan H., Wang S., Gadda G., Weber I.T.
Biochemistry 50:6292-6294(2011) · UniProtKB (1) |
| The L76V drug resistance mutation decreases the dimer stability and rate of autoprocessing of HIV-1 protease by reducing internal hydrophobic contacts. Louis J.M., Zhang Y., Sayer J.M., Wang Y.F., Harrison R.W., Weber I.T.
Biochemistry 50:4786-4795(2011) · Mapped (1) |
| Probing multidrug-resistance and protein-ligand interactions with oxatricyclic designed ligands in HIV-1 protease inhibitors. Ghosh A.K., Xu C.X., Rao K.V., Baldridge A., Agniswamy J., Wang Y.F., Weber I.T., Aoki M., Miguel S.G., Amano M. et al.
ChemMedChem 5:1850-1854(2010) · Mapped (1) |
| Conformational changes and substrate recognition in Pseudomonas aeruginosa D-arginine dehydrogenase. Fu G., Yuan H., Li C., Lu C.D., Gadda G., Weber I.T.
Biochemistry 49:8535-8545(2010) · UniProtKB (1) |
| Autocatalytic maturation, physical/chemical properties, and crystal structure of group N HIV-1 protease: relevance to drug resistance. Sayer J.M., Agniswamy J., Weber I.T., Louis J.M.
Protein Sci. 19:2055-2072(2010) · UniProtKB (1) |
| Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Shen C.H., Wang Y.F., Kovalevsky A.Y., Harrison R.W., Weber I.T.
FEBS J. 277:3699-3714(2010) · Mapped (1) |
| Structural and kinetic studies on the Ser101Ala variant of choline oxidase: catalysis by compromise. Finnegan S., Yuan H., Wang Y.F., Orville A.M., Weber I.T., Gadda G.
Arch. Biochem. Biophys. 501:207-213(2010) · UniProtKB (1) |
| Role of valine 464 in the flavin oxidation reaction catalyzed by choline oxidase. Finnegan S., Agniswamy J., Weber I.T., Gadda G.
Biochemistry 49:2952-2961(2010) · UniProtKB (1) |
| Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease. Ishima R., Gong Q., Tie Y., Weber I.T., Louis J.M.
Proteins 78:1015-1025(2010) · Mapped (1) |
| 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. Ghosh A.K., Kulkarni S., Anderson D.D., Hong L., Baldridge A., Wang Y.F., Chumanevich A.A., Kovalevsky A.Y., Tojo Y., Amano M. et al.
J. Med. Chem. 52:7689-7705(2009) · Mapped (2) |
| Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7. Agniswamy J., Fang B., Weber I.T.
Apoptosis 14:1135-1144(2009) · Mapped (5) |
| 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. Ghosh A.K., Leshchenko-Yashchuk S., Anderson D.D., Baldridge A., Noetzel M., Miller H.B., Tie Y., Wang Y.F., Koh Y., Weber I.T. et al.
J. Med. Chem. 52:3902-3914(2009) · Mapped (1) |
| Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Fang B., Fu G., Agniswamy J., Harrison R.W., Weber I.T.
Apoptosis 14:741-752(2009) · Mapped (2) |
| Defining the DNA substrate binding sites on HIV-1 integrase. Dolan J., Chen A., Weber I.T., Harrison R.W., Leis J.
J. Mol. Biol. 385:568-579(2009) · Mapped (2) |
| Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies. Ghosh A.K., Gemma S., Takayama J., Baldridge A., Leshchenko-Yashchuk S., Miller H.B., Wang Y.F., Kovalevsky A.Y., Koh Y., Weber I.T. et al.
Org. Biomol. Chem. 6:3703-3713(2008) · Mapped (1) |
| Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease. Kovalevsky A.Y., Louis J.M., Aniana A., Ghosh A.K., Weber I.T.
J. Mol. Biol. 384:178-192(2008) · Mapped (1) |
| Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies. Ghosh A.K., Gemma S., Baldridge A., Wang Y.F., Kovalevsky A.Y., Koh Y., Weber I.T., Mitsuya H.
J. Med. Chem. 51:6021-6033(2008) · Mapped (1) |
| Structural basis for executioner caspase recognition of P5 position in substrates. Fu G., Chumanevich A.A., Agniswamy J., Fang B., Harrison R.W., Weber I.T.
Apoptosis 13:1291-1302(2008) · Mapped (2) |
| Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. Liu F., Kovalevsky A.Y., Tie Y., Ghosh A.K., Harrison R.W., Weber I.T.
J. Mol. Biol. 381:102-115(2008) · Mapped (1) |
