1LZQ
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![BU of 1lzq by Molmil](/molmil-images/mine/1lzq) | Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2 | 分子名称: | BETA-MERCAPTOETHANOL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | 著者 | Skalova, T, Hasek, J, Dohnalek, J, Petrokova, H, Buchtelova, E, Soucek, M, Majer, P, Uhlikova, T, Konvalinka, J. | 登録日 | 2002-06-11 | 公開日 | 2003-04-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | An Ethylenamine Inhibitor Binds Tightly to Both Wild Type and Mutant HIV-1 Proteases. Structure and Energy Study J.Med.Chem., 46, 2003
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2QAK
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![BU of 2qak by Molmil](/molmil-images/mine/2qak) | 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 | 2007-06-16 | 公開日 | 2008-07-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Evolutionary pathway of HIV resistance analyzed on molecular level: Enzymatic activities, 3-D structures and thermodynamics of HIV proteases resistant to nelfinavir To be Published
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1U8G
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![BU of 1u8g by Molmil](/molmil-images/mine/1u8g) | Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | 分子名称: | PROTEASE RETROPEPSIN, peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | 著者 | Brynda, J, Rezacova, P, Fabry, M, Horejsi, M, Hradilek, M, Soucek, R, Stouracova, R, Konvalinka, J, Sedlacek, J. | 登録日 | 2004-08-06 | 公開日 | 2004-11-02 | 最終更新日 | 2018-02-14 | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | 主引用文献 | Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex. Acta Crystallogr.,Sect.D, 60, 2004
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3T11
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![BU of 3t11 by Molmil](/molmil-images/mine/3t11) | Dimeric inhibitor of HIV-1 protease. | 分子名称: | (3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Brynda, J, Rezacova, P, Saskova, G.K, Kozisek, M, Konvalinka, J. | 登録日 | 2011-07-21 | 公開日 | 2012-08-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Dimeric inhibitor of HIV-1 protease. To be Published
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1UPJ
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![BU of 1upj by Molmil](/molmil-images/mine/1upj) | |
3TTP
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![BU of 3ttp by Molmil](/molmil-images/mine/3ttp) | Structure of multiresistant HIV-1 protease in complex 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, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Saskova, K.G, Brynda, J, Kozisek, M, Konvalinka, J, Rezacova, P. | 登録日 | 2011-09-15 | 公開日 | 2012-09-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Thermodynamic and structural analysis of HIV protease resistance to darunavir - analysis of heavily mutated patient-derived HIV-1 proteases. Febs J., 281, 2014
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7DZM
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![BU of 7dzm by Molmil](/molmil-images/mine/7dzm) | |
1HVS
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![BU of 1hvs by Molmil](/molmil-images/mine/1hvs) | STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING | 分子名称: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | 著者 | Baldwin, E.T, Bhat, T.N, Liu, B, Pattabiraman, N, Erickson, J.W. | 登録日 | 1994-11-17 | 公開日 | 1995-02-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase. Nat.Struct.Biol., 2, 1995
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1ZLF
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![BU of 1zlf by Molmil](/molmil-images/mine/1zlf) | Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor | 分子名称: | N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | 著者 | Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. | 登録日 | 2005-05-06 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 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
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2HB2
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![BU of 2hb2 by Molmil](/molmil-images/mine/2hb2) | Structure of HIV protease 6X mutant in apo form | 分子名称: | Protease | 著者 | Heaslet, H, Tam, K, Elder, J.H, Stout, C.D. | 登録日 | 2006-06-13 | 公開日 | 2007-06-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Conformational flexibility in the flap domains of ligand-free HIV protease. Acta Crystallogr.,Sect.D, 63, 2007
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1TCX
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![BU of 1tcx by Molmil](/molmil-images/mine/1tcx) | HIV TRIPLE MUTANT PROTEASE COMPLEXED WITH INHIBITOR SB203386 | 分子名称: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV PROTEASE | 著者 | Hoog, S.S, Abdel-Meguid, S.S. | 登録日 | 1996-06-05 | 公開日 | 1996-12-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Human immunodeficiency virus protease ligand specificity conferred by residues outside of the active site cavity. Biochemistry, 35, 1996
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2QNQ
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![BU of 2qnq by Molmil](/molmil-images/mine/2qnq) | HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide) | 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 (2.3 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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2Z54
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![BU of 2z54 by Molmil](/molmil-images/mine/2z54) | The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir | 分子名称: | BETA-MERCAPTOETHANOL, HIV-1 Protease, 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 | 著者 | Brynda, J, Klara, S, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J. | 登録日 | 2007-06-28 | 公開日 | 2008-07-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir. Protein Sci., 17, 2008
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6VLM
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![BU of 6vlm by Molmil](/molmil-images/mine/6vlm) | |
1M0B
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![BU of 1m0b by Molmil](/molmil-images/mine/1m0b) | HIV-1 protease in complex with an ethyleneamine inhibitor | 分子名称: | GLYCEROL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | 著者 | Petrokova, H, Hasek, J, Dohnalek, J. | 登録日 | 2002-06-12 | 公開日 | 2004-01-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Role of hydroxyl group and R/S configuration of isostere in binding properties of HIV-1 protease inhibitors Eur.J.Biochem., 271, 2004
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1HPO
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![BU of 1hpo by Molmil](/molmil-images/mine/1hpo) | HIV-1 PROTEASE TRIPLE MUTANT/U103265 COMPLEX | 分子名称: | 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE, HIV-1 PROTEASE | 著者 | Watenpaugh, K.D, Janakiraman, M.N. | 登録日 | 1996-12-10 | 公開日 | 1997-04-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones. J.Med.Chem., 40, 1997
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1BDQ
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![BU of 1bdq by Molmil](/molmil-images/mine/1bdq) | HIV-1 (2:31-37, 47, 82) PROTEASE COMPLEXED WITH INHIBITOR SB203386 | 分子名称: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE | 著者 | Swairjo, M.A, Abdel-Meguid, S.S. | 登録日 | 1998-05-10 | 公開日 | 1998-08-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease. Biochemistry, 37, 1998
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2BPZ
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![BU of 2bpz by Molmil](/molmil-images/mine/2bpz) | HIV-1 protease-inhibitor complex | 分子名称: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | 著者 | Munshi, S, Chen, Z. | 登録日 | 1998-01-22 | 公開日 | 1999-02-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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1A8G
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![BU of 1a8g by Molmil](/molmil-images/mine/1a8g) | HIV-1 PROTEASE IN COMPLEX WITH SDZ283-910 | 分子名称: | HIV-1 PROTEASE, benzyl [(1R)-1-({(1S,2S,3S)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate | 著者 | Kallen, J, Billich, A, Scholz, D, Auer, M, Kungl, A. | 登録日 | 1998-03-24 | 公開日 | 1998-07-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | X-ray structure and conformational dynamics of the HIV-1 protease in complex with the inhibitor SDZ283-910: agreement of time-resolved spectroscopy and molecular dynamics simulations. J.Mol.Biol., 286, 1999
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1AAQ
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![BU of 1aaq by Molmil](/molmil-images/mine/1aaq) | |
2HNY
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![BU of 2hny by Molmil](/molmil-images/mine/2hny) | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | 登録日 | 2006-07-13 | 公開日 | 2006-09-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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2HND
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![BU of 2hnd by Molmil](/molmil-images/mine/2hnd) | Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | 登録日 | 2006-07-12 | 公開日 | 2006-09-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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2AZ9
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![BU of 2az9 by Molmil](/molmil-images/mine/2az9) | HIV-1 Protease NL4-3 1X 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 | 2005-09-09 | 公開日 | 2006-02-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.5 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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1D4S
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![BU of 1d4s by Molmil](/molmil-images/mine/1d4s) | HIV-1 PROTEASE V82F/I84V DOUBLE MUTANT/TIPRANAVIR COMPLEX | 分子名称: | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, PROTEIN (HIV-1 PROTEASE) | 著者 | Watenpaugh, K.D, Janakiraman, M.N. | 登録日 | 1999-10-05 | 公開日 | 1999-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors. J.Med.Chem., 39, 1996
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1SH9
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![BU of 1sh9 by Molmil](/molmil-images/mine/1sh9) | Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | 分子名称: | POL polyprotein, RITONAVIR | 著者 | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, McKenna, R, Abanje-McKenna, M, Goodenow, M.M, Dunn, B.M. | 登録日 | 2004-02-25 | 公開日 | 2004-10-05 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease. Biochemistry, 43, 2004
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