1G6L
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1MET
| HIV-1 MUTANT (V82F) PROTEASE COMPLEXED WITH DMP323 | 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([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | 著者 | Ala, P, Chang, C.-H. | 登録日 | 1997-04-11 | 公開日 | 1998-04-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors. Biochemistry, 36, 1997
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1MEU
| HIV-1 MUTANT (V82F, I84V) PROTEASE COMPLEXED WITH DMP323 | 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([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | 著者 | Ala, P, Chang, C.-H. | 登録日 | 1997-04-11 | 公開日 | 1998-04-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors. Biochemistry, 36, 1997
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1MER
| HIV-1 MUTANT (I84V) PROTEASE COMPLEXED WITH DMP450 | 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 | Ala, P, Chang, C.-H. | 登録日 | 1997-04-11 | 公開日 | 1998-04-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors. Biochemistry, 36, 1997
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1W5X
| HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | 分子名称: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | 登録日 | 2004-08-10 | 公開日 | 2004-12-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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1MES
| HIV-1 MUTANT (I84V) PROTEASE COMPLEXED WITH DMP323 | 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([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | 著者 | Ala, P, Chang, C.-H. | 登録日 | 1997-04-11 | 公開日 | 1998-04-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors. Biochemistry, 36, 1997
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6C0O
| Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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7DOZ
| HIV-1 Protease D30N 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 | 著者 | Bihani, S.C, Hosur, M.V. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease. J.Biomol.Struct.Dyn., 2021
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8JYI
| Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid E | 分子名称: | 7-[5-(2-azanylethyl)-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,Ribonuclease H, ... | 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 (1.92 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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6C0J
| Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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4U1I
| HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GAG protein, ... | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | 登録日 | 2014-07-15 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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6CGF
| Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-02-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6C8Y
| D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | 分子名称: | CHLORIDE ION, GLYCEROL, Protease, ... | 著者 | Windsor, I.W, Raines, R.T, Forest, K.T. | 登録日 | 2018-01-25 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.942 Å) | 主引用文献 | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J. Am. Chem. Soc., 140, 2018
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4KO0
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135) | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ... | 著者 | Das, K, Bauman, J.D, Arnold, E. | 登録日 | 2013-05-10 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Bioorg.Med.Chem.Lett., 23, 2013
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8DXI
| HIV-1 reverse transcriptase/rilpivirine with bound fragment [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol at multiple sites | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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4IG3
| HIV-1 reverse transcriptase with bound fragment near Knuckles site | 分子名称: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2012-12-15 | 公開日 | 2013-02-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4ID5
| HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site | 分子名称: | 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2012-12-11 | 公開日 | 2013-02-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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6C0L
| Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6D0E
| X-ray crystal structure of wild type HIV-1 protease in complex with GRL-084-13 | 分子名称: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease | 著者 | Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. | 登録日 | 2018-04-10 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications. Antimicrob.Agents Chemother., 63, 2019
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6C0K
| Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.958 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6DUF
| Crystal structure of HIV-1 reverse transcriptase V106A/F227L mutant in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-06-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.963 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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1ZSF
| Crystal Structure of Complex of a Hydroxyethylamine Inhibitor with HIV-1 Protease at 2.0A Resolution | 分子名称: | 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 | 2005-05-24 | 公開日 | 2006-04-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.98 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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8DXM
| HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromophenol at the Knuckles site | 分子名称: | 1,2-ETHANEDIOL, 4-BROMOPHENOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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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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1HTG
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