PDB: 961 件ウェブページステータス検索Chemie searchBIRD

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4F75	Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN 分子名称: ACETATE ION, C terminal product of substrate RH-IN, GLYCEROL, ... 著者 Schiffer, C.A, Mittal, S, Nalam, M.N.L. 登録日 2012-05-15 公開日 2013-05-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN To be Published
4FE6	Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease 著者 Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H. 登録日 2012-05-29 公開日 2012-07-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Enamino-oxindole HIV protease inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4FLG	HIV-1 protease mutant I47V complexed with reaction intermediate 分子名称: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... 著者 Yu, X, Shen, C.H, Weber, I.T. 登録日 2012-06-14 公開日 2012-10-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease. Biochemistry, 51, 2012
4FAE	Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant 分子名称: HIV-1 protease, Substrate p2/NC peptide 著者 Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. 登録日 2012-05-22 公開日 2012-08-29 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease. Biology (Basel), 1, 2012
1Z1R	HIV-1 protease complexed with Macrocyclic peptidomimetic inhibitor 2 分子名称: 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE, Pol polyprotein, SULFATE ION 著者 Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. 登録日 2005-03-06 公開日 2005-03-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease Biochemistry, 38, 1999
1ZP8	HIV Protease with inhibitor AB-2 分子名称: Pol polyprotein, [1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLCARBAMATE 著者 Brik, A, Alexandratos, J.N, Elder, J.H, Olson, A.J, Wlodawer, A, Goodsell, D.S, Wong, C.H. 登録日 2005-05-16 公開日 2005-06-21 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors. Chembiochem, 6, 2005
1ZPK	Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 分子名称: CHLORIDE ION, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, ... 著者 Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J. 登録日 2005-05-17 公開日 2006-04-25 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures To be Published
1ZTZ	Crystal structure of HIV protease- metallacarborane complex 分子名称: COBALT BIS(1,2-DICARBOLLIDE), PROTEASE RETROPEPSIN, autoproteolytic tetrapeptide 著者 Cigler, P, Kozisek, M, Rezacova, P, Brynda, J, Otwinowski, Z, Sedlacek, J, Bodem, J, Kraeusslich, H.-G, Kral, V, Konvalinka, J. 登録日 2005-05-28 公開日 2005-11-01 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 From nonpeptide toward noncarbon protease inhibitors: Metallacarboranes as specific and potent inhibitors of HIV protease Proc.Natl.Acad.Sci.USA, 102, 2005
1YTG	SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT 分子名称: HIV PROTEASE, PEPTIDE PRODUCT 著者 Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. 登録日 1996-08-01 公開日 1997-03-12 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
1YTJ	SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT 分子名称: PEPTIDE PRODUCT, SIV PROTEASE 著者 Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. 登録日 1996-08-01 公開日 1997-03-12 最終更新日 2021-11-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
1YTH	SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT 分子名称: HIV PROTEASE, PEPTIDE PRODUCT 著者 Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. 登録日 1996-08-01 公開日 1997-03-12 最終更新日 2021-11-03 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
1ZSF	Crystal Structure of Complex of a Hydroxyethylamine Inhibitor with HIV-1 Protease at 2.0A Resolution 分子名称: N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN 著者 Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J. 登録日 2005-05-24 公開日 2006-04-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution. Acta Crystallogr.,Sect.D, 62, 2006
1ZSR	Crystal structure of wild type HIV-1 protease (BRU isolate) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 分子名称: N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN 著者 Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. 登録日 2005-05-24 公開日 2006-04-25 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution. Acta Crystallogr.,Sect.D, 62, 2006
1XL5	HIV-1 Protease in complex with amidhyroxysulfone 分子名称: CHLORIDE ION, N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE, PROTEASE RETROPEPSIN 著者 Boettcher, J, Specker, E, Heine, A, Klebe, G. 登録日 2004-09-30 公開日 2005-06-07 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors Angew.Chem.Int.Ed.Engl., 44, 2005
2A4F	Synthesis and Activity of N-Axyl Azacyclic Urea HIV-1 Protease Inhibitors with High Potency Against Multiple Drug Resistant Viral Strains. 分子名称: (5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE, Pol polyprotein 著者 Zhao, C, Sham, H, Sun, M, Lin, S, Stoll, V, Stewart, K.D, Mo, H, Vasavanonda, S, Saldivar, A, McDonald, E. 登録日 2005-06-28 公開日 2005-09-20 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains Bioorg.Med.Chem.Lett., 15, 2005
1XL2	HIV-1 Protease in complex with pyrrolidinmethanamine 分子名称: CHLORIDE ION, GLYCEROL, N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE, ... 著者 Boettcher, J, Specker, E, Heine, A, Klebe, G. 登録日 2004-09-30 公開日 2005-06-07 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors Angew.Chem.Int.Ed.Engl., 44, 2005
1ZJ7	Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 分子名称: N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN 著者 Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. 登録日 2005-04-28 公開日 2006-05-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site J.Med.Chem., 49, 2006
1Z8C	Crystal structure of the complex of mutant HIV-1 protease (l63P, A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 分子名称: N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, SULFATE ION 著者 Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J. 登録日 2005-03-30 公開日 2006-03-21 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures To be Published
1ZBG	Crystal structure of a complex of mutant hiv-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 分子名称: CHLORIDE ION, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, ... 著者 Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J. 登録日 2005-04-08 公開日 2006-04-18 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.995 Å) 主引用文献 Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures To be Published
2AOJ	Crystal structure analysis of HIV-1 protease with a substrate analog P6-PR 分子名称: ACETIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. 登録日 2005-08-12 公開日 2006-01-17 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 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
2AVO	Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S 分子名称: ACETIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. 登録日 2005-08-30 公開日 2006-01-24 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 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
2AVQ	Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S 分子名称: 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, ... 著者 Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. 登録日 2005-08-30 公開日 2006-01-24 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 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
2AZC	HIV-1 Protease NL4-3 6X mutant 分子名称: PROTEASE RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate 著者 Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. 登録日 2005-09-10 公開日 2006-02-28 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3 J.Mol.Biol., 356, 2006
2B60	Structure of HIV-1 protease mutant bound to Ritonavir 分子名称: GLYCEROL, Gag-Pol polyprotein, RITONAVIR 著者 Clemente, J.C, Stow, L.R, Janka, L.K, Jeung, J.A, Desai, K.A, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Goodenow, M.M, Dunn, B.M. 登録日 2005-09-29 公開日 2006-11-14 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 In vivo, kinetic, and structural analysis of the development of ritonavir resistance To be Published
2AZB	HIV-1 Protease NL4-3 3X mutant in complex with inhibitor, TL-3 分子名称: PROTEASE RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate 著者 Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. 登録日 2005-09-09 公開日 2006-02-28 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3 J.Mol.Biol., 356, 2006

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