2QD7
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![BU of 2qd7 by Molmil](/molmil-images/mine/2qd7) | HIV-1 Protease Mutant V82A with potent Antiviral inhibitor GRL-98065 | 分子名称: | (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, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T. | 登録日 | 2007-06-20 | 公開日 | 2008-04-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | 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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2R3W
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![BU of 2r3w by Molmil](/molmil-images/mine/2r3w) | I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-08-30 | 公開日 | 2008-09-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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2QD6
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![BU of 2qd6 by Molmil](/molmil-images/mine/2qd6) | HIV-1 Protease Mutant I50V with potent Antiviral inhibitor GRL-98065 | 分子名称: | (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, ... | 著者 | Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T. | 登録日 | 2007-06-20 | 公開日 | 2008-04-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | 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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2QNN
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![BU of 2qnn by Molmil](/molmil-images/mine/2qnn) | HIV-1 protease in complex with a multiple decorated pyrrolidine-based inhibitor | 分子名称: | 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide, CHLORIDE ION, GLYCEROL, ... | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-07-19 | 公開日 | 2008-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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2QHZ
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![BU of 2qhz by Molmil](/molmil-images/mine/2qhz) | Crystal structure of protease inhibitor, MIT-1-AC87 in complex with wild type HIV-1 protease | 分子名称: | (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE, 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 (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
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2R38
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![BU of 2r38 by Molmil](/molmil-images/mine/2r38) | I84V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor | 分子名称: | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-08-29 | 公開日 | 2008-09-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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2RKG
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![BU of 2rkg by Molmil](/molmil-images/mine/2rkg) | HIV-1 PR resistant mutant + LPV | 分子名称: | GLYCEROL, 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, PROTEASE RETROPEPSIN | 著者 | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K, Konvalinka, J. | 登録日 | 2007-10-16 | 公開日 | 2008-08-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region J.Virol., 82, 2008
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2PWR
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![BU of 2pwr by Molmil](/molmil-images/mine/2pwr) | HIV-1 protease in complex with a carbamoyl decorated pyrrolidine-based inhibitor | 分子名称: | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, GLYCEROL, ... | 著者 | Boettcher, B, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-05-12 | 公開日 | 2008-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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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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2Q63
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![BU of 2q63 by Molmil](/molmil-images/mine/2q63) | HIV-1 PR mutant in complex with nelfinavir | 分子名称: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | 著者 | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | 登録日 | 2007-06-04 | 公開日 | 2008-02-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants J.Mol.Biol., 374, 2007
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2PYM
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![BU of 2pym by Molmil](/molmil-images/mine/2pym) | HIV-1 PR mutant in complex with nelfinavir | 分子名称: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | 著者 | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | 登録日 | 2007-05-16 | 公開日 | 2008-02-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants J.Mol.Biol., 374, 2007
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2Q55
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![BU of 2q55 by Molmil](/molmil-images/mine/2q55) | 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
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2PWC
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![BU of 2pwc by Molmil](/molmil-images/mine/2pwc) | HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, GLYCEROL, Gag-Pol polyprotein (Pr160Gag-Pol), ... | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-05-11 | 公開日 | 2008-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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1F7A
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![BU of 1f7a by Molmil](/molmil-images/mine/1f7a) | |
1HEF
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![BU of 1hef by Molmil](/molmil-images/mine/1hef) | The crystal structures at 2.2 angstroms resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations | 分子名称: | HIV-1 PROTEASE, SKF 108738 PEPTIDE INHIBITOR | 著者 | Murthy, K, Winborne, E.L, Minnich, M.D, Culp, J.S, Debouck, C. | 登録日 | 1992-09-21 | 公開日 | 1994-05-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The crystal structures at 2.2-A resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations. J.Biol.Chem., 267, 1992
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1HWR
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![BU of 1hwr by Molmil](/molmil-images/mine/1hwr) | MOLECULAR RECOGNITION OF CYCLIC UREA HIV PROTEASE INHIBITORS | 分子名称: | HIV-1 PROTEASE, [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE | 著者 | Chang, C.-H. | 登録日 | 1998-03-20 | 公開日 | 1999-03-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular recognition of cyclic urea HIV-1 protease inhibitors. J.Biol.Chem., 273, 1998
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1HOS
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![BU of 1hos by Molmil](/molmil-images/mine/1hos) | |
1HTG
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![BU of 1htg by Molmil](/molmil-images/mine/1htg) | |
1HPV
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![BU of 1hpv by Molmil](/molmil-images/mine/1hpv) | |
1HIV
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![BU of 1hiv by Molmil](/molmil-images/mine/1hiv) | CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A DIHYDROETHYLENE-CONTAINING INHIBITOR: COMPARISONS WITH MOLECULAR MODELING | 分子名称: | 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium, HIV-1 PROTEASE | 著者 | Thanki, N, Wlodawer, A. | 登録日 | 1992-02-12 | 公開日 | 1993-10-31 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a complex of HIV-1 protease with a dihydroxyethylene-containing inhibitor: comparisons with molecular modeling. Protein Sci., 1, 1992
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1HEG
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![BU of 1heg by Molmil](/molmil-images/mine/1heg) | The crystal structures at 2.2 angstroms resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations | 分子名称: | HIV-1 PROTEASE, methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate | 著者 | Murthy, K, Winborne, E.L, Minnich, M.D, Culp, J.S, Debouck, C. | 登録日 | 1992-09-21 | 公開日 | 1994-05-31 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The crystal structures at 2.2-A resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations. J.Biol.Chem., 267, 1992
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1HVR
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![BU of 1hvr by Molmil](/molmil-images/mine/1hvr) | RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS | 分子名称: | HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE | 著者 | Chang, C.-H. | 登録日 | 1994-02-14 | 公開日 | 1995-01-26 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors. Science, 263, 1994
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1GNO
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![BU of 1gno by Molmil](/molmil-images/mine/1gno) | HIV-1 PROTEASE (WILD TYPE) COMPLEXED WITH U89360E (INHIBITOR) | 分子名称: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | 著者 | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | 登録日 | 1996-05-04 | 公開日 | 1996-11-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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1HBV
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![BU of 1hbv by Molmil](/molmil-images/mine/1hbv) | |
1HHP
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![BU of 1hhp by Molmil](/molmil-images/mine/1hhp) | |