6DIF
| Wild-type HIV-1 protease in complex with tipranavir | 分子名称: | CHLORIDE ION, GLYCEROL, HIV-1 protease, ... | 著者 | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | 登録日 | 2018-05-23 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DIL
| HIV-1 protease with single mutation L76V in complex with tipranavir | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | 登録日 | 2018-05-23 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DJ2
| HIV-1 protease with single mutation L76V in complex with Lopinavir | 分子名称: | CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | 著者 | Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. | 登録日 | 2018-05-24 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DV4
| HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2018-06-22 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem, 160, 2018
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6DJ7
| HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2 ligand) | 分子名称: | (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | 著者 | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | 登録日 | 2018-05-24 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DJ5
| HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | 登録日 | 2018-05-24 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DV0
| HIV-1 wild type protease with GRL-02815A, a thiochroman heterocycle with (S)-Boc-amine functionality as the P2 ligand | 分子名称: | CHLORIDE ION, GLYCEROL, Protease, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2018-06-22 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem, 160, 2018
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6E7J
| HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand | 分子名称: | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2018-07-26 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | 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. J. Med. Chem., 61, 2018
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6E9A
| HIV-1 WILD TYPE PROTEASE WITH GRL-034-17A, (3aS, 5R, 6aR)-2-OXOHEXAHYD CYCLOPENTA[D]-5-OXAZOLYL URETHANE WITH A BICYCLIC OXAZOLIDINONE SCAFF AS THE P2 LIGAND | 分子名称: | (3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2018-07-31 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | 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. J. Med. Chem., 61, 2018
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1SDV
| Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. | 分子名称: | CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, protease RETROPEPSIN | 著者 | Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2004-02-14 | 公開日 | 2004-05-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structures of HIV protease V82A and L90M
mutants reveal changes in the indinavir-binding site Eur.J.Biochem., 271, 2004
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1SDT
| Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. | 分子名称: | CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, protease RETROPEPSIN | 著者 | Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2004-02-14 | 公開日 | 2004-05-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal structures of HIV protease V82A and L90M
mutants reveal changes in the indinavir-binding site Eur.J.Biochem., 271, 2004
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1SDU
| Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. | 分子名称: | ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, SULFATE ION, ... | 著者 | Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2004-02-14 | 公開日 | 2004-05-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Crystal structures of HIV protease V82A and L90M
mutants reveal changes in the indinavir-binding site Eur.J.Biochem., 271, 2004
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2F8G
| HIV-1 protease mutant I50V complexed with inhibitor TMC114 | 分子名称: | (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, ... | 著者 | Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2005-12-02 | 公開日 | 2006-03-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
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2F80
| HIV-1 Protease mutant D30N complexed with inhibitor TMC114 | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, POL POLYPROTEIN, ... | 著者 | Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2005-12-01 | 公開日 | 2006-03-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
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2F81
| HIV-1 Protease mutant L90M complexed with inhibitor TMC114 | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | 著者 | Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2005-12-01 | 公開日 | 2006-03-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
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1TQH
| Covalent Reaction intermediate Revealed in Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est30 | 分子名称: | Carboxylesterase precursor, PROPYL ACETATE, SULFATE ION | 著者 | Liu, P, Wang, Y.F, Ewis, H.E, Abdelal, A.T, Lu, C.D, Harrison, R.W, Weber, I.T. | 登録日 | 2004-06-17 | 公開日 | 2004-09-28 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Covalent reaction intermediate revealed in crystal structure of the Geobacillus stearothermophilus carboxylesterase Est30. J.Mol.Biol., 342, 2004
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2H5J
| Crystal strusture of caspase-3 with inhibitor Ac-DMQD-Cho | 分子名称: | Ac-DMQD-Cho, caspase-3, p12 subunit, ... | 著者 | Fang, B, Boross, P.I, Tozser, J, Weber, I.T. | 登録日 | 2006-05-26 | 公開日 | 2006-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition J.Mol.Biol., 360, 2006
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2H5I
| Crystal structure of caspase-3 with inhibitor Ac-DEVD-Cho | 分子名称: | Ac-DEV(ASJ), caspase-3, p12 subunit, ... | 著者 | Fang, B, Boross, P.I, Tozser, J, Weber, I.T. | 登録日 | 2006-05-26 | 公開日 | 2006-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition J.Mol.Biol., 360, 2006
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2H65
| Crystal strusture of caspase-3 with inhibitor Ac-VDVAD-Cho | 分子名称: | Ac-VDVAD-Cho, caspase-3, p12 subunit, ... | 著者 | Fang, B, Boross, P.I, Tozser, J, Weber, I.T. | 登録日 | 2006-05-30 | 公開日 | 2006-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition J.Mol.Biol., 360, 2006
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2HB3
| Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579 | 分子名称: | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | 著者 | Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2006-06-13 | 公開日 | 2006-08-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structure-Based Design of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance. J.Med.Chem., 49, 2006
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1A1X
| CRYSTAL STRUCTURE OF MTCP-1 INVOLVED IN T CELL MALIGNANCIES | 分子名称: | HMTCP-1 | 著者 | Fu, Z.Q, Dubois, G.C, Song, S.P, Kulikovskaya, I, Virgilio, L, Rothstein, J, Croce, C.M, Weber, I.T, Harrison, R.W. | 登録日 | 1997-12-18 | 公開日 | 1998-05-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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 | 分子名称: | 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 | 著者 | Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T. | 登録日 | 1998-04-16 | 公開日 | 1999-01-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for specificity of retroviral proteases. Biochemistry, 37, 1998
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1BAI
| Crystal structure of Rous sarcoma virus protease in complex with inhibitor | 分子名称: | 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 | 著者 | Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T. | 登録日 | 1998-04-17 | 公開日 | 1999-01-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for specificity of retroviral proteases. Biochemistry, 37, 1998
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1D77
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1D53
| CRYSTAL STRUCTURE AT 1.5 ANGSTROMS RESOLUTION OF D(CGCICICG), AN OCTANUCLEOTIDE CONTAINING INOSINE, AND ITS COMPARISON WITH D(CGCG) AND D(CGCGCG) STRUCTURES | 分子名称: | DNA (5'-D(*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*IP*CP*IP*CP*G)-3') | 著者 | Kumar, V.D, Harrison, R.W, Andrews, L.C, Weber, I.T. | 登録日 | 1992-11-05 | 公開日 | 1993-04-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 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, 1992
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