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1XS7
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BU of 1xs7 by Molmil
Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase).
Descriptor: Beta-secretase 1, N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4 -ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE
Authors:Ghosh, A, Devasamudram, T, Hong, L, DeZutter, C, Xu, X, Weerasena, V, Koelsch, G, Bilcer, G, Tang, J.
Deposit date:2004-10-18
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase).
Bioorg.Med.Chem.Lett., 15, 2005
2P4J
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BU of 2p4j by Molmil
Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3
Descriptor: Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
Authors:Hong, L, Ghosh, A.K, Tang, J.
Deposit date:2007-03-12
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands.
J.Med.Chem., 50, 2007
2G94
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BU of 2g94 by Molmil
Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
Descriptor: Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
Authors:Hong, L, Ghosh, A, Tang, J.
Deposit date:2006-03-05
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
J.Am.Chem.Soc., 128, 2006
2IEN
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BU of 2ien by Molmil
Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017)
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ...
Authors:Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T.
Deposit date:2006-09-19
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004

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