1DMP
 
 | | STRUCTURE OF HIV-1 PROTEASE COMPLEX | | 分子名称: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | | 著者 | Chang, C.-H. | | 登録日 | 1996-11-01 | | 公開日 | 1997-11-12 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Improved cyclic urea inhibitors of the HIV-1 protease: synthesis, potency, resistance profile, human pharmacokinetics and X-ray crystal structure of DMP 450.
Chem.Biol., 3, 1996
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6CPN
 | | Crystal structure of DR11 presenting the RQ13 peptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gag polyprotein, ... | | 著者 | Farenc, C, Gras, S, Rossjohn, J. | | 登録日 | 2018-03-13 | | 公開日 | 2018-06-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018
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1HSG
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2AZ8
 | | HIV-1 Protease NL4-3 in complex with inhibitor, TL-3 | | 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 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 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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1HPX
 | | HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 | | 分子名称: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE | | 著者 | Bhat, T.N, Erickson, J.W. | | 登録日 | 1995-05-18 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine.
Structure, 3, 1995
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1BV9
 | | HIV-1 PROTEASE (I84V) COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS | | 分子名称: | PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] | | 著者 | Ala, P, Chang, C.H. | | 登録日 | 1998-09-22 | | 公開日 | 1998-09-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
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8JYJ
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid A | | 分子名称: | 7-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,HIV-1 Reverse Transcriptase RNase H active domain, ... | | 著者 | Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T. | | 登録日 | 2023-07-03 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase.
J.Nat.Prod., 86, 2023
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4JEC
 | | Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir | | 分子名称: | CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | 著者 | Kovalevsky, A.Y, Weber, I.T, Langan, P. | | 登録日 | 2013-02-26 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION | | 主引用文献 | Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.
J.Med.Chem., 56, 2013
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2AZC
 | | HIV-1 Protease NL4-3 6X 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 | 2005-09-10 | | 公開日 | 2006-02-28 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.01 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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6EX9
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2AZB
 | | HIV-1 Protease NL4-3 3X mutant in complex with inhibitor, TL-3 | | 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 (2.03 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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1ZSR
 | | Crystal structure of wild type HIV-1 protease (BRU isolate) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 | | 分子名称: | N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | 著者 | Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. | | 登録日 | 2005-05-24 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 62, 2006
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8ERX
 | | Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide | | 分子名称: | Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01 | | 著者 | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | | 登録日 | 2022-10-13 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules.
Front Immunol, 14, 2023
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3PSU
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7SLS
 | | HIV Reverse Transcriptase with compound Pyr02 | | 分子名称: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | | 著者 | Klein, D.J, Zebisch, M, Gu, M. | | 登録日 | 2021-10-24 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.078 Å) | | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
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7XIU
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | | 分子名称: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... | | 著者 | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | | 登録日 | 2022-04-14 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
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3QIP
 | | Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and 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, 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid, CHLORIDE ION, ... | | 著者 | Lansdon, E.B, Kirschberg, T.A. | | 登録日 | 2011-01-27 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.0926 Å) | | 主引用文献 | Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
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7R7X
 | | Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, ... | | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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1LV1
 | | Crystal Structure Analysis of the non-active site mutant of tethered HIV-1 protease to 2.1A resolution | | 分子名称: | HIV-1 protease | | 著者 | Kumar, M, Kannan, K.K, Hosur, M.V, Bhavesh, N.S, Chatterjee, A, Mittal, R, Hosur, R.V. | | 登録日 | 2002-05-24 | | 公開日 | 2002-06-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Effects of remote mutation on the autolysis of HIV-1 PR: X-ray and NMR investigations.
Biochem.Biophys.Res.Commun., 294, 2002
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6VPZ
 | | HLA-B*27:05 presenting an HIV-1 11mer peptide | | 分子名称: | 11-mer peptide, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | 登録日 | 2020-02-04 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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1ODW
 | | Native HIV-1 Proteinase | | 分子名称: | HIV-1 PROTEASE, di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate | | 著者 | Thanki, N, Kervinen, J, Wlodawer, A. | | 登録日 | 1996-09-16 | | 公開日 | 1997-04-01 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Analysis of the Native and Drug-Resistant HIV-1 Proteinases Complexed with an Aminodiol Inhibitor
Protein Pept.Lett., 3, 1996
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1QBT
 | | HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY | | 分子名称: | HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE] | | 著者 | Ala, P, Chang, C.-H. | | 登録日 | 1997-04-25 | | 公開日 | 1997-10-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
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4FAF
 | | Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | 分子名称: | HIV-1 protease, substrate CA/p2 peptide | | 著者 | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | 登録日 | 2012-05-22 | | 公開日 | 2012-08-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
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3T3C
 | | Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) in complex with DRV | | 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, HIV-1 protease, ... | | 著者 | Rezacova, P, Kozisek, M, Konvalinka, J, Saskova, K.G. | | 登録日 | 2011-07-25 | | 公開日 | 2012-06-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mutations in HIV-1 gag and pol Compensate for the Loss of Viral Fitness Caused by a Highly Mutated Protease.
Antimicrob.Agents Chemother., 56, 2012
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2P3B
 | | Crystal Structure of the subtype B wild type HIV protease complexed with TL-3 inhibitor | | 分子名称: | 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, protease | | 著者 | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | | 登録日 | 2007-03-08 | | 公開日 | 2007-04-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
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