2V00
 
 | | X-ray crystal structure of endothiapepsin complexed with compound 1 | | 分子名称: | 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE, ACETATE ION, ENDOTHIAPEPSIN, ... | | 著者 | Geschwindner, S, Olsson, L.L, Deinum, J, Albert, J.S, Edwards, P.D, De Beer, T, Folmer, R.H.A. | | 登録日 | 2007-05-03 | | 公開日 | 2007-12-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of a Novel Warhead Against Beta-Secretase Through Fragment-Based Lead Generation.
J.Med.Chem., 50, 2007
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2RMP
 | | RMP-pepstatin A complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MUCOROPEPSIN, PEPSTATIN, ... | | 著者 | Yang, J, Quail, J.W. | | 登録日 | 1997-05-30 | | 公開日 | 1997-09-17 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure of the Rhizomucor miehei aspartic proteinase complexed with the inhibitor pepstatin A at 2.7 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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2REN
 | | STRUCTURE OF RECOMBINANT HUMAN RENIN, A TARGET FOR CARDIOVASCULAR-ACTIVE DRUGS, AT 2.5 ANGSTROMS RESOLUTION | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN | | 著者 | Sielecki, A.R, James, M.N.G. | | 登録日 | 1992-02-05 | | 公開日 | 1994-01-31 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of recombinant human renin, a target for cardiovascular-active drugs, at 2.5 A resolution.
Science, 243, 1989
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2R9B
 | | Structural Analysis of Plasmepsin 2 from Plasmodium falciparum complexed with a peptide-based inhibitor | | 分子名称: | Plasmepsin-2, peptide-based inhibitor | | 著者 | Liu, P, Marzahn, M.R, Robbins, A.H, McKenna, R, Dunn, B.M. | | 登録日 | 2007-09-12 | | 公開日 | 2007-11-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis.
Biochemistry, 48, 2009
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2QZX
 | | Secreted aspartic proteinase (Sap) 5 from Candida albicans | | 分子名称: | Candidapepsin-5, Pepstatin | | 著者 | Lee, J.H, Ruge, E, Borelli, C, Maskos, K, Huber, R. | | 登録日 | 2007-08-17 | | 公開日 | 2008-07-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | X-ray structures of Sap1 and Sap5: Structural comparison of the secreted aspartic proteinases from Candida albicans.
Proteins, 72, 2008
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2QZW
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2QZL
 | | Crystal Structure of human Beta Secretase complexed with IXS | | 分子名称: | Beta-secretase 1, N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide | | 著者 | Munshi, S. | | 登録日 | 2007-08-16 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | BACE-1 inhibition by a series of psi[CH2NH] reduced amide isosteres
Bioorg.Med.Chem.Lett., 16, 2006
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2QZK
 | | Crystal structure of human Beta Secretase complexed with I21 | | 分子名称: | 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1 | | 著者 | Munshi, S. | | 登録日 | 2007-08-16 | | 公開日 | 2008-04-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2QU3
 | | BACE1 with Compound 2 | | 分子名称: | Beta-secretase 1, N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide | | 著者 | Chopra, R. | | 登録日 | 2007-08-03 | | 公開日 | 2008-08-05 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Thiophene substituted acylguanidines as BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2QU2
 | | BACE1 with Compound 1 | | 分子名称: | Beta-secretase 1, N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide | | 著者 | Chopra, R. | | 登録日 | 2007-08-03 | | 公開日 | 2008-08-05 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Thiophene substituted acylguanidines as BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2QP8
 | | Structure of BACE Bound to SCH734723 | | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | 著者 | Strickland, C.O, Iserloh, U. | | 登録日 | 2007-07-23 | | 公開日 | 2008-03-11 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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2QMG
 | | Structure of BACE Bound to SCH745966 | | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE | | 著者 | Strickland, C.O, Iserloh, U. | | 登録日 | 2007-07-16 | | 公開日 | 2008-03-18 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
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2QMF
 | | Structure of BACE Bound to SCH735310 | | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | 著者 | Strickland, C.O, Iserloh, U. | | 登録日 | 2007-07-16 | | 公開日 | 2008-03-11 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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2QMD
 | | Structure of BACE Bound to SCH722924 | | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | 著者 | Strickland, C.O, Iserloh, U. | | 登録日 | 2007-07-16 | | 公開日 | 2008-03-11 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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2QK5
 | | Structure of BACE1 bound to SCH626485 | | 分子名称: | Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | 著者 | Strickland, C.O, Iserloh, U. | | 登録日 | 2007-07-10 | | 公開日 | 2008-03-11 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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2Q15
 | | Structure of BACE complexed to compound 3a | | 分子名称: | (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE, Beta-secretase 1 | | 著者 | Sharff, A.J. | | 登録日 | 2007-05-23 | | 公開日 | 2007-08-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
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2Q11
 | | Structure of BACE complexed to compound 1 | | 分子名称: | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE, Beta-secretase 1 | | 著者 | Sharff, A.J. | | 登録日 | 2007-05-23 | | 公開日 | 2007-08-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
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2PSG
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2PH8
 | | Crystal Structure of Human Beta Secretase Complexed with inhibitor | | 分子名称: | Beta-secretase 1, N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE, SULFATE ION | | 著者 | Munshi, S. | | 登録日 | 2007-04-10 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2PH6
 | | Crystal Structure of Human Beta Secretase Complexed with inhibitor | | 分子名称: | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE, Beta-secretase 1, SULFATE ION | | 著者 | Munshi, S. | | 登録日 | 2007-04-10 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2P8H
 | | Crystal structure of human beta secretase complexed with inhibitor | | 分子名称: | Beta-secretase 1, N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE | | 著者 | Munshi, S. | | 登録日 | 2007-03-22 | | 公開日 | 2007-08-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and Synthesis of 2,3,5-Substituted Imidazolidin-4-one Inhibitors of BACE-1.
Chemmedchem, 2, 2007
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2P83
 | | Potent and selective isophthalamide S2 hydroxyethylamine inhibitor of BACE1 | | 分子名称: | Beta-secretase 1, N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE, PHOSPHATE ION | | 著者 | Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J. | | 登録日 | 2007-03-21 | | 公開日 | 2007-06-19 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Potent and selective isophthalamide S(2) hydroxyethylamine inhibitors of BACE1.
Bioorg.Med.Chem.Lett., 17, 2007
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2P4J
 | | Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3 | | 分子名称: | 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 | | 著者 | Hong, L, Ghosh, A.K, Tang, J. | | 登録日 | 2007-03-12 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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
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2OHU
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2OHT
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