4J54
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![BU of 4j54 by Molmil](/molmil-images/mine/4j54) | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-0519A | 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, ACETATE ION, IODIDE ION, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2013-02-07 | 公開日 | 2013-05-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran. J.Med.Chem., 56, 2013
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1DAZ
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![BU of 1daz by Molmil](/molmil-images/mine/1daz) | Structural and kinetic analysis of drug resistant mutants of HIV-1 protease | 分子名称: | HIV-1 PROTEASE (RETROPEPSIN), N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide | 著者 | Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T. | 登録日 | 1999-11-01 | 公開日 | 2000-05-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and kinetic analysis of drug resistant mutants of HIV-1 protease. Eur.J.Biochem., 263, 1999
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3VFB
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![BU of 3vfb by Molmil](/molmil-images/mine/3vfb) | Crystal Structure of HIV-1 Protease Mutant N88D with novel P1'-Ligands GRL-02031 | 分子名称: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | 登録日 | 2012-01-09 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J.Med.Chem., 55, 2012
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1K1U
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![BU of 1k1u by Molmil](/molmil-images/mine/1k1u) | Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance | 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 RETROPEPSIN | 著者 | Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, W Harrison, R, Weber, I.T. | 登録日 | 2001-09-25 | 公開日 | 2002-07-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Combining mutations in HIV-1 protease to understand mechanisms of resistance. Proteins, 48, 2002
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2PQZ
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![BU of 2pqz by Molmil](/molmil-images/mine/2pqz) | HIV-1 Protease in complex with a pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE), Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-05-03 | 公開日 | 2008-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.55 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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3TKW
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![BU of 3tkw by Molmil](/molmil-images/mine/3tkw) | Crystal structure of HIV protease model precursor/Darunavir complex | 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 | Agniswamy, J, Sayer, J, Weber, I, Louis, J. | 登録日 | 2011-08-29 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease. Biochemistry, 51, 2012
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2R43
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![BU of 2r43 by Molmil](/molmil-images/mine/2r43) | I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, GLYCEROL, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), ... | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-08-30 | 公開日 | 2008-09-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.58 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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3QRS
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2Z4O
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![BU of 2z4o by Molmil](/molmil-images/mine/2z4o) | Wild Type HIV-1 Protease 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 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 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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6B3C
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2O4K
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![BU of 2o4k by Molmil](/molmil-images/mine/2o4k) | Crystal Structure of HIV-1 Protease (Q7K) in Complex with Atazanavir | 分子名称: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, CHLORIDE ION, ... | 著者 | Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | 登録日 | 2006-12-04 | 公開日 | 2006-12-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
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3JVY
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![BU of 3jvy by Molmil](/molmil-images/mine/3jvy) | HIV-1 Protease Mutant G86A with DARUNAVIR | 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, Gag-Pol polyprotein, ... | 著者 | Tie, Y, Weber, I.T. | 登録日 | 2009-09-17 | 公開日 | 2009-12-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease Proteins, 78, 2009
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2AOJ
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![BU of 2aoj by Molmil](/molmil-images/mine/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
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3QPJ
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3QRO
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![BU of 3qro by Molmil](/molmil-images/mine/3qro) | HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor | 分子名称: | 4-({(3S,4S)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide, CHLORIDE ION, DITHIANE DIOL, ... | 著者 | Lindemann, I, Heine, A, Klebe, G. | 登録日 | 2011-02-18 | 公開日 | 2012-02-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.616 Å) | 主引用文献 | Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease To be Published
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6B3H
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![BU of 6b3h by Molmil](/molmil-images/mine/6b3h) | Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | 分子名称: | CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | 著者 | Su, H.P. | 登録日 | 2017-09-21 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett, 8, 2017
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8DCI
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![BU of 8dci by Molmil](/molmil-images/mine/8dci) | |
3UF3
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![BU of 3uf3 by Molmil](/molmil-images/mine/3uf3) | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 | 分子名称: | GLYCEROL, HIV-1 protease, YTTRIUM ION | 著者 | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | 登録日 | 2011-10-31 | 公開日 | 2012-03-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements. Biochemistry, 51, 2012
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6B36
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1ZPK
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![BU of 1zpk by Molmil](/molmil-images/mine/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
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2ZGA
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![BU of 2zga by Molmil](/molmil-images/mine/2zga) | HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (hexagonal space group) | 分子名称: | (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2008-01-21 | 公開日 | 2009-02-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors J.Mol.Biol., 410, 2011
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3CKT
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![BU of 3ckt by Molmil](/molmil-images/mine/3ckt) | HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (orthorombic space group) | 分子名称: | (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, CHLORIDE ION, Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2008-03-17 | 公開日 | 2009-03-24 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors J.Mol.Biol., 410, 2011
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6P9A
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![BU of 6p9a by Molmil](/molmil-images/mine/6p9a) | HIV-1 Protease multiple mutant PRS5B with Darunavir | 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, HIV-1 Protease, PHOSPHATE ION | 著者 | Kneller, D.W, Agniswamy, J, Weber, I.T. | 登録日 | 2019-06-10 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Highly drug-resistant HIV-1 protease reveals decreased intra-subunit interactions due to clusters of mutations. Febs J., 287, 2020
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3KDB
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![BU of 3kdb by Molmil](/molmil-images/mine/3kdb) | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006 | 分子名称: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | 著者 | Chufan, E.E, Lafont, V, Freire, E, Amzel, L.M. | 登録日 | 2009-10-22 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | How much binding affinity can be gained by filling a cavity? Chem.Biol.Drug Des., 75, 2010
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7MAD
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![BU of 7mad by Molmil](/molmil-images/mine/7mad) | HIV-1 Protease (I84V) in Complex with PD5 (LR4-22) | 分子名称: | Protease, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-04-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with PD5 (LR4-22) To Be Published
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