2I0D
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![BU of 2i0d by Molmil](/molmil-images/mine/2i0d) | 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
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2I0A
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![BU of 2i0a by Molmil](/molmil-images/mine/2i0a) | Crystal Structure of KB-19 complexed with wild type HIV-1 protease | 分子名称: | (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, GLYCEROL, 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 (1.8 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
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4DJP
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![BU of 4djp by Molmil](/molmil-images/mine/4djp) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP73 | 分子名称: | PHOSPHATE ION, Pol polyprotein, methyl (2S)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2012-02-02 | 公開日 | 2012-08-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DJR
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![BU of 4djr by Molmil](/molmil-images/mine/4djr) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP97 | 分子名称: | PHOSPHATE ION, Pol polyprotein, [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2012-02-02 | 公開日 | 2012-08-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DJO
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![BU of 4djo by Molmil](/molmil-images/mine/4djo) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP56 | 分子名称: | 2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, GLYCEROL, ... | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2012-02-02 | 公開日 | 2012-08-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DJQ
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![BU of 4djq by Molmil](/molmil-images/mine/4djq) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP86 | 分子名称: | 2-(2-oxoimidazolidin-1-yl)ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, PHOSPHATE ION, Pol polyprotein | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2012-02-02 | 公開日 | 2012-08-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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3GI6
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![BU of 3gi6 by Molmil](/molmil-images/mine/3gi6) | |
3GI5
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![BU of 3gi5 by Molmil](/molmil-images/mine/3gi5) | Crystal structure of protease inhibitor, KB62 in complex with wild type HIV-1 protease | 分子名称: | (5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease | 著者 | Nalam, M.N.L, Schiffer, C.A. | 登録日 | 2009-03-05 | 公開日 | 2010-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
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3GI4
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![BU of 3gi4 by Molmil](/molmil-images/mine/3gi4) | Crystal structure of protease inhibitor, KB60 in complex with wild type HIV-1 protease | 分子名称: | 5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide, ACETATE ION, PHOSPHATE ION, ... | 著者 | Nalam, M.N.L, Schiffer, C.A. | 登録日 | 2009-03-05 | 公開日 | 2010-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
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3MXE
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![BU of 3mxe by Molmil](/molmil-images/mine/3mxe) | Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease | 分子名称: | (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ... | 著者 | Nalam, M.N.L, Schiffer, C.A. | 登録日 | 2010-05-07 | 公開日 | 2010-11-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones. J.Med.Chem., 53, 2010
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3O9B
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![BU of 3o9b by Molmil](/molmil-images/mine/3o9b) | Crystal Structure of wild-type HIV-1 Protease in Complex with kd25 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, ACETATE ION, GLYCEROL, ... | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9C
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![BU of 3o9c by Molmil](/molmil-images/mine/3o9c) | Crystal Structure of wild-type HIV-1 Protease in complex with kd20 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Pol polyprotein | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9F
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![BU of 3o9f by Molmil](/molmil-images/mine/3o9f) | Crystal Structure of wild-type HIV-1 Protease in complex with kd27 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9G
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![BU of 3o9g by Molmil](/molmil-images/mine/3o9g) | Crystal Structure of wild-type HIV-1 Protease in complex with af53 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9H
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![BU of 3o9h by Molmil](/molmil-images/mine/3o9h) | Crystal Structure of wild-type HIV-1 Protease in complex with kd26 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, ACETATE ION, PHOSPHATE ION, ... | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9I
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![BU of 3o9i by Molmil](/molmil-images/mine/3o9i) | Crystal Structure of wild-type HIV-1 Protease in complex with af61 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3MXD
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![BU of 3mxd by Molmil](/molmil-images/mine/3mxd) | Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease | 分子名称: | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ... | 著者 | Nalam, M.N.L, Schiffer, C.A. | 登録日 | 2010-05-07 | 公開日 | 2010-11-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones. J.Med.Chem., 53, 2010
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3O9A
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![BU of 3o9a by Molmil](/molmil-images/mine/3o9a) | Crystal Structure of wild-type HIV-1 Protease in complex with kd14 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, PHOSPHATE ION, Pol polyprotein | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O99
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![BU of 3o99 by Molmil](/molmil-images/mine/3o99) | Crystal Structure of wild-type HIV-1 Protease in complex with kd13 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9E
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![BU of 3o9e by Molmil](/molmil-images/mine/3o9e) | Crystal Structure of wild-type HIV-1 Protease in complex with af60 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9D
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![BU of 3o9d by Molmil](/molmil-images/mine/3o9d) | Crystal Structure of wild-type HIV-1 Protease in complex with kd19 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2010-08-04 | 公開日 | 2011-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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2PSU
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![BU of 2psu by Molmil](/molmil-images/mine/2psu) | |
2PSV
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![BU of 2psv by Molmil](/molmil-images/mine/2psv) | |
2Q54
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![BU of 2q54 by Molmil](/molmil-images/mine/2q54) | Crystal structure of KB73 bound to HIV-1 protease | 分子名称: | ACETATE ION, N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]CARBONYL}AMINO)-1-BENZYL-3-HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE, PHOSPHATE ION, ... | 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 (1.85 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
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2Q5K
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![BU of 2q5k by Molmil](/molmil-images/mine/2q5k) | 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
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