1N49
| Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy | 分子名称: | Protease, RITONAVIR | 著者 | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | 登録日 | 2002-10-30 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant:
Structural Insights for Better Antiviral Therapy J.VIROL., 77, 2003
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1MTB
| Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEASE RETROPEPSIN | 著者 | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | 登録日 | 2002-09-20 | 公開日 | 2003-01-07 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy J.Virol., 77, 2003
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1MT9
| Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | 分子名称: | PHOSPHATE ION, PROTEASE RETROPEPSIN, p1-p6 Gag substrate decapeptide | 著者 | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | 登録日 | 2002-09-20 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy J.Virol., 77, 2003
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1MT7
| Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | 分子名称: | ACETATE ION, PROTEASE RETROPEPSIN, Substrate analogue | 著者 | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | 登録日 | 2002-09-20 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy J.Virol., 77, 2003
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1MT8
| Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | 分子名称: | ACETATE ION, Capsid-p2 substrate peptide of HIV-1 Gag polyprotein, PROTEASE RETROPEPSIN | 著者 | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | 登録日 | 2002-09-20 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy J.Virol., 77, 2003
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4U6S
| CtBP1 in complex with substrate phenylpyruvate | 分子名称: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | 著者 | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | 登録日 | 2014-07-29 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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4U6Q
| CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | 分子名称: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | 著者 | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | 登録日 | 2014-07-29 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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2QI3
| Crystal structure of protease inhibitor, MIT-2-AD94 in complex with wild type HIV-1 protease | 分子名称: | (2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE, PHOSPHATE ION, Protease | 著者 | Nalam, M.N.L, Schiffer, C.A. | 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 (1.95 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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5JQD
| Antibody Fab Fragment | 分子名称: | D80 Fab Fragment Heavy Chain, D80 Fab Fragment Light Chain | 著者 | Zhang, Z, Prachanronarong, K, Gellatly, K, Marasco, W.A, Schiffer, C.A. | 登録日 | 2016-05-04 | 公開日 | 2017-11-08 | 最終更新日 | 2019-11-27 | 実験手法 | X-RAY DIFFRACTION (2.591 Å) | 主引用文献 | Structural Basis of an Influenza Hemagglutinin Stem-Directed Antibody Retaining the G6 Idiotype To Be Published
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5KEG
| Crystal structure of APOBEC3A in complex with a single-stranded DNA | 分子名称: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ... | 著者 | Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A. | 登録日 | 2016-06-09 | 公開日 | 2017-05-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity. Nat Commun, 8, 2017
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3V4K
| First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G | 分子名称: | CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3G, MAGNESIUM ION, ... | 著者 | Shandilya, S.M.D, Ali, A, Schiffer, C.A. | 登録日 | 2011-12-15 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G. Acs Chem.Biol., 7, 2012
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3V4J
| First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G | 分子名称: | 4-[methyl(nitroso)amino]benzene-1,2-diol, DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | 著者 | Shandilya, S.M.D, Ali, A, Schiffer, C.A. | 登録日 | 2011-12-15 | 公開日 | 2012-02-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G. Acs Chem.Biol., 7, 2012
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5ETX
| Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-Linear (MK-5172 linear analogue) | 分子名称: | CHLORIDE ION, NS3 protease, ZINC ION, ... | 著者 | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | 登録日 | 2015-11-18 | 公開日 | 2016-01-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
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6DGX
| Crystal structure of HIV-1 Protease NL4-3 WT 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, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DH6
| Crystal structure of HIV-1 Protease NL4-3 I50V Mutant 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, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DH2
| Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass6 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.978 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DIT
| Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19) | 分子名称: | NS3 protease, ZINC ION, pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, ... | 著者 | Matthew, A.N, Schiffer, C.A. | 登録日 | 2018-05-23 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.789 Å) | 主引用文献 | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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6DH4
| Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with UMass1 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.943 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DGY
| Crystal structure of HIV-1 Protease NL4-3 WT in complex with UMass1 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DH7
| Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass1 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DH3
| Crystal structure of HIV-1 Protease NL4-3 V82I Mutant 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, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.908 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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2I0A
| Crystal Structure of KB-19 complexed with wild type HIV-1 protease | 分子名称: | (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, GLYCEROL, PHOSPHATE ION, ... | 著者 | Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M. | 登録日 | 2006-08-10 | 公開日 | 2006-12-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands. J.Med.Chem., 49, 2006
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2I0D
| Crystal structure of AD-81 complexed with wild type HIV-1 protease | 分子名称: | (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, ACETATE ION, PHOSPHATE ION, ... | 著者 | Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M. | 登録日 | 2006-08-10 | 公開日 | 2006-12-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands. J.Med.Chem., 49, 2006
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5VOJ
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8E7T
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