6RSV
| Endothiapepsin in complex with 017 | 分子名称: | 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Magari, F, Heine, A, Klebe, G. | 登録日 | 2019-05-22 | 公開日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Endothiapepsin in complex with 017 To Be Published
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1FKN
| Structure of Beta-Secretase Complexed with Inhibitor | 分子名称: | MEMAPSIN 2, inhibitor | 著者 | Hong, L, Koelsch, G, Lin, X, Wu, S, Terzyan, S, Ghosh, A, Zhang, X.C, Tang, J. | 登録日 | 2000-08-09 | 公開日 | 2000-10-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor. Science, 290, 2000
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1FLH
| CRYSTAL STRUCTURE OF HUMAN UROPEPSIN AT 2.45 A RESOLUTION | 分子名称: | UROPEPSIN | 著者 | Canduri, F, Teodoro, L.G.V.L, Fadel, V, Lorenzi, C.C.B, Hial, V, Gomes, R.A.S, Neto, J.R, De Azevedo Jr, W.F. | 登録日 | 2000-08-14 | 公開日 | 2001-10-31 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure of human uropepsin at 2.45 A resolution. Acta Crystallogr.,Sect.D, 57, 2001
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3C9X
| Crystal structure of Trichoderma reesei aspartic proteinase | 分子名称: | GLYCEROL, Trichoderma reesei Aspartic protease | 著者 | Nascimento, A.S, Krauchenco, S, Golubev, A.M, Gustchina, A, Wlodawer, A, Polikarpov, I. | 登録日 | 2008-02-19 | 公開日 | 2008-08-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Statistical coupling analysis of aspartic proteinases based on crystal structures of the Trichoderma reesei enzyme and its complex with pepstatin A. J.Mol.Biol., 382, 2008
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6R5H
| Major aspartyl peptidase 1 from C. neoformans | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | 著者 | Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J. | 登録日 | 2019-03-25 | 公開日 | 2021-04-07 | 最終更新日 | 2021-06-09 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery. J.Med.Chem., 64, 2021
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6R61
| Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258 | 分子名称: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J. | 登録日 | 2019-03-26 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258 To Be Published
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6R6A
| Major aspartyl peptidase 1 from C. neoformans | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endopeptidase, ... | 著者 | Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J. | 登録日 | 2019-03-26 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery. J.Med.Chem., 64, 2021
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6EQM
| Crystal Structure of Human BACE-1 in Complex with CNP520 | 分子名称: | Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide | 著者 | Rondeau, J.-M, Wirth, E. | 登録日 | 2017-10-13 | 公開日 | 2018-09-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease. EMBO Mol Med, 10, 2018
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6XCT
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6XCZ
| Porcine pepsin in complex with saquinavir | 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, Pepsin A | 著者 | Vuksanovic, N, Silvaggi, N.R. | 登録日 | 2020-06-09 | 公開日 | 2021-06-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Porcine pepsin in complex with saquinavir To Be Published
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6XCY
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6XD2
| Porcine pepsin 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, Pepsin A | 著者 | Vuksanovic, N, Silvaggi, N.R. | 登録日 | 2020-06-09 | 公開日 | 2021-06-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Porcine pepsin in complex with darunavir To Be Published
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6FGY
| Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4 | 分子名称: | Beta-secretase 1, ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | 著者 | Rondeau, J.-M, Bourgier, E. | 登録日 | 2018-01-11 | 公開日 | 2018-06-06 | 最終更新日 | 2018-06-20 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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6SCV
| Endothiapepsin in complex with ligand 69 | 分子名称: | Endothiapepsin, GLYCEROL, [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane | 著者 | Magari, F, Heine, A, Klebe, G. | 登録日 | 2019-07-25 | 公開日 | 2020-08-26 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Endothiapepsin in complex with ligand 69 To Be Published
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6UJ0
| Unbound BACE2 mutant structure | 分子名称: | Beta-secretase 2, unidentified polypeptide | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | 登録日 | 2019-10-01 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors. Acs Chem Neurosci, 12, 2021
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4ER1
| THE ACTIVE SITE OF ASPARTIC PROTEINASES | 分子名称: | ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide | 著者 | Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L. | 登録日 | 1990-10-14 | 公開日 | 1991-01-15 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The active site of aspartic proteinases FEBS Lett., 174, 1984
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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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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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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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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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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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4FCO
| Crystal structure of bace1 with its inhibitor | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, SULFATE ION, ... | 著者 | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | 登録日 | 2012-05-25 | 公開日 | 2013-05-29 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations To be Published, 2012
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4FGX
| Crystal structure of bace1 with novel inhibitor | 分子名称: | Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ... | 著者 | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | 登録日 | 2012-06-05 | 公開日 | 2013-01-16 | 最終更新日 | 2021-09-15 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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4WTU
| Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22 | 分子名称: | (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2014-10-30 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities. Acs Med.Chem.Lett., 6, 2015
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4FM7
| Crystal Structure of BACE with Compound 14g | 分子名称: | 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol, Beta-secretase 1, ZINC ION | 著者 | Vajdos, F.F, Varghese, A.H. | 登録日 | 2012-06-15 | 公開日 | 2012-10-03 | 最終更新日 | 2013-06-19 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J.Med.Chem., 55, 2012
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