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PDB: 38 件
2QHY
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BU of 2qhy by Molmil
Crystal Structure of protease inhibitor, MIT-1-AC86 in complex with wild type HIV-1 protease
分子名称: ACETATE ION, N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2Q55
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BU of 2q55 by Molmil
Crystal structure of KK44 bound to HIV-1 protease
分子名称: (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-05-31
公開日2007-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres.
J.Med.Chem., 50, 2007
2PSU
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BU of 2psu by Molmil
Crystal Structure of wild type HIV-1 protease in complex with CARB-AD37
分子名称: ACETATE ION, N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-05-07
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis.
Chem.Biol.Drug Des., 69, 2007
2I0D
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BU of 2i0d by Molmil
Crystal structure of AD-81 complexed with wild type HIV-1 protease
分子名称: (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, ACETATE ION, PHOSPHATE ION, ...
著者Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M.
登録日2006-08-10
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands.
J.Med.Chem., 49, 2006
3SAA
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BU of 3saa by Molmil
Crystal structure of Wild-type HIV-1 protease in complex With AF77
分子名称: N-[(2S,3R)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
2Q5K
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BU of 2q5k by Molmil
Crystal structure of lopinavir bound to wild type HIV-1 protease
分子名称: 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, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-06-01
公開日2007-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres.
J.Med.Chem., 50, 2007
2QI3
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BU of 2qi3 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD94 in complex with wild type HIV-1 protease
分子名称: (2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE, PHOSPHATE ION, Protease
著者Nalam, M.N.L, Schiffer, C.A.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2NXL
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BU of 2nxl by Molmil
Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLU-VAL-PHE*TYR-VAL-ASP-GLY-ALA
分子名称: Analogue of RT-RH pol protease substrate peptide, PHOSPHATE ION, PROTEASE RETROPEPSIN
著者Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A.
登録日2006-11-17
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease
Proteins, 70, 2007
2Q3K
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BU of 2q3k by Molmil
Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in HIV-1 Protease
分子名称: ACETATE ION, N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-05-30
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of lysine sulfonamide inhibitor reveals the displacement of the conserved flap water molecule in human immunodeficiency virus type 1 protease.
J.Virol., 81, 2007
2NXD
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BU of 2nxd by Molmil
Structure of HIV-1 protease D25N complexed with rt-rh analogue peptide GLY-ALA-ASP-ILE-PHE*TYR-LEU-ASP-GLY-ALA
分子名称: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN
著者Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A.
登録日2006-11-17
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease
Proteins, 70, 2007
2QI1
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BU of 2qi1 by Molmil
Crystal structure of protease inhibitor, MIT-1-KK81 in complex with wild type HIV-1 protease
分子名称: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3,4-DIHYDROXYBENZAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI0
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BU of 2qi0 by Molmil
Crystal structure of protease inhibitor, MIT-1-KK80 in complex with wild type HIV-1 protease
分子名称: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2NXM
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BU of 2nxm by Molmil
Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLN-THR-PHE*TYR-VAL-ASP-GLY-ALA
分子名称: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN
著者Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A.
登録日2006-11-17
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease
Proteins, 70, 2007
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