4EWO
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![BU of 4ewo by Molmil](/molmil-images/mine/4ewo) | Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | Descriptor: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | Authors: | Borkakoti, N, Lindberg, J, Derbyshire, D. | Deposit date: | 2012-04-27 | Release date: | 2012-10-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
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3I25
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![BU of 3i25 by Molmil](/molmil-images/mine/3i25) | Potent Beta-Secretase 1 hydroxyethylene Inhibitor | Descriptor: | Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Lindberg, J.D, Borkakoti, N, Nystrom, S. | Deposit date: | 2009-06-29 | Release date: | 2010-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core Bioorg.Med.Chem., 18, 2010
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4EXG
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![BU of 4exg by Molmil](/molmil-images/mine/4exg) | Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | Descriptor: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | Authors: | Borkakoti, N, Lindberg, J, Derbyshire, D. | Deposit date: | 2012-04-30 | Release date: | 2012-10-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
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3IXJ
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![BU of 3ixj by Molmil](/molmil-images/mine/3ixj) | Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor | Descriptor: | Beta-secretase 1, N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE, SULFATE ION | Authors: | Borkakoti, N, Lindberg, J, Nystrom, S. | Deposit date: | 2009-09-04 | Release date: | 2010-03-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Synthesis of Potent and Selective BACE-1 Inhibitors. J.Med.Chem., 53, 2010
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1D4J
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![BU of 1d4j by Molmil](/molmil-images/mine/1d4j) | HIV-1 protease in complex with the inhibitor MSL370 | Descriptor: | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE, HIV-1 PROTEASE | Authors: | Unge, T. | Deposit date: | 1999-10-04 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors. Eur.J.Biochem., 270, 2003
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1D4I
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![BU of 1d4i by Molmil](/molmil-images/mine/1d4i) | HIV-1 protease in complex with the inhibitor BEA425 | Descriptor: | 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE], HIV-1 PROTEASE | Authors: | Unge, T. | Deposit date: | 1999-10-04 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors. Eur.J.Biochem., 270, 2003
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1D4H
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![BU of 1d4h by Molmil](/molmil-images/mine/1d4h) | HIV-1 Protease in complex with the inhibitor BEA435 | Descriptor: | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE, HIV-1 PROTEASE | Authors: | Unge, T. | Deposit date: | 1999-10-04 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors. Eur.J.Biochem., 270, 2003
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1EC1
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![BU of 1ec1 by Molmil](/molmil-images/mine/1ec1) | HIV-1 protease in complex with the inhibitor BEA409 | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | Authors: | Unge, T. | Deposit date: | 2000-01-25 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors Eur.J.Biochem., 270, 2003
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1EBZ
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![BU of 1ebz by Molmil](/molmil-images/mine/1ebz) | HIV-1 protease in complex with the inhibitor BEA388 | Descriptor: | HIV-1 PROTEASE, [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE | Authors: | Unge, T. | Deposit date: | 2000-01-25 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors Eur.J.Biochem., 270, 2003
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1EBW
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![BU of 1ebw by Molmil](/molmil-images/mine/1ebw) | HIV-1 protease in complex with the inhibitor BEA322 | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE] | Authors: | Unge, T. | Deposit date: | 2000-01-25 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors Eur.J.Biochem., 270, 2003
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1EC2
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![BU of 1ec2 by Molmil](/molmil-images/mine/1ec2) | HIV-1 protease in complex with the inhibitor BEA428 | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | Authors: | Unge, T. | Deposit date: | 2000-01-25 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors Eur.J.Biochem., 270, 2003
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1EC0
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![BU of 1ec0 by Molmil](/molmil-images/mine/1ec0) | HIV-1 protease in complex with the inhibitor bea403 | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | Authors: | Unge, T. | Deposit date: | 2000-01-25 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | 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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1EC3
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![BU of 1ec3 by Molmil](/molmil-images/mine/1ec3) | HIV-1 protease in complex with the inhibitor MSA367 | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE] | Authors: | Unge, T. | Deposit date: | 2000-01-25 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors Eur.J.Biochem., 270, 2003
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