1A8M
| TUMOR NECROSIS FACTOR ALPHA, R31D MUTANT | Descriptor: | TUMOR NECROSIS FACTOR ALPHA | Authors: | Reed, C, Fu, Z.-Q, Wu, J, Xue, Y.-N, Harrison, R.W, Chen, M.-J, Weber, I.T. | Deposit date: | 1998-03-27 | Release date: | 1998-06-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of TNF-alpha mutant R31D with greater affinity for receptor R1 compared with R2. Protein Eng., 10, 1997
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3D20
| Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease, ... | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | Deposit date: | 2008-05-07 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3D1Z
| Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | Deposit date: | 2008-05-07 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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1A1X
| CRYSTAL STRUCTURE OF MTCP-1 INVOLVED IN T CELL MALIGNANCIES | Descriptor: | HMTCP-1 | Authors: | Fu, Z.Q, Dubois, G.C, Song, S.P, Kulikovskaya, I, Virgilio, L, Rothstein, J, Croce, C.M, Weber, I.T, Harrison, R.W. | Deposit date: | 1997-12-18 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of MTCP-1: implications for role of TCL-1 and MTCP-1 in T cell malignancies. Proc.Natl.Acad.Sci.USA, 95, 1998
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1A94
| STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE | Authors: | Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T. | Deposit date: | 1998-04-16 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for specificity of retroviral proteases. Biochemistry, 37, 1998
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1A8K
| 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 | Descriptor: | HIV PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide | Authors: | Weber, I.T, Wu, J, Adomat, J, Harrison, R.W, Kimmel, A.R, Wondrak, E.M, Louis, J.M. | Deposit date: | 1998-03-27 | Release date: | 1999-01-13 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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. Eur.J.Biochem., 249, 1997
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1BAI
| Crystal structure of Rous sarcoma virus protease in complex with inhibitor | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE | Authors: | Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T. | Deposit date: | 1998-04-17 | Release date: | 1999-01-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for specificity of retroviral proteases. Biochemistry, 37, 1998
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2Z4O
| Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-98065 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T. | Deposit date: | 2007-06-20 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease. J.Med.Chem., 50, 2007
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3GJR
| Caspase-3 Binds Diverse P4 Residues in Peptides | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ... | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2009-03-09 | Release date: | 2009-03-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
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3GJT
| Caspase-3 Binds Diverse P4 Residues in Peptides | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2009-03-09 | Release date: | 2009-03-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
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3GJS
| Caspase-3 Binds Diverse P4 Residues in Peptides | Descriptor: | Ac-YVAD-Cho inhibitor, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2009-03-09 | Release date: | 2009-03-24 | Last modified: | 2011-08-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
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3GJQ
| Caspase-3 Binds Diverse P4 Residues in Peptides | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2009-03-09 | Release date: | 2009-03-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
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2IEN
| Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-09-19 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol., 338, 2004
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1JRS
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1JRT
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2AOJ
| Crystal structure analysis of HIV-1 protease with a substrate analog P6-PR | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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. Febs J., 272, 2005
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2AVQ
| Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, ... | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-30 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
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2AVO
| Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-30 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
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2AOC
| Crystal structure analysis of HIV-1 protease mutant I84V with a substrate analog P2-NC | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 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. Febs J., 272, 2005
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2AOG
| Crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog P2-NC | Descriptor: | ACETIC ACID, GLYCEROL, HIV-1 PROTEASE (RETROPEPSIN), ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | 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. Febs J., 272, 2005
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2AOD
| Crystal structure analysis of HIV-1 protease with a substrate analog P2-NC | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, HIV-1 PROTEASE, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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. Febs J., 272, 2005
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2AOE
| crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog CA-P2 | Descriptor: | ACETIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 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. Febs J., 272, 2005
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2AOF
| Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P1-P6 | Descriptor: | ACETIC ACID, CHLORIDE ION, PEPTIDE INHIBITOR, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | 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. Febs J., 272, 2005
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2AVV
| Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, and G73S | Descriptor: | ACETIC ACID, CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, ... | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-30 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
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2AOI
| Crystal structure analysis of HIV-1 protease with a substrate analog P1-P6 | Descriptor: | PEPTIDE INHIBITOR, POL POLYPROTEIN, SULFATE ION | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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. Febs J., 272, 2005
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