4GJC
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![BU of 4gjc by Molmil](/molmil-images/mine/4gjc) | Crystal structure of renin in complex with NVP-BCH965 (compound 9) | 分子名称: | (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | 著者 | Ostermann, N, Zink, F, Kroemer, M. | 登録日 | 2012-08-09 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. J.Med.Chem., 56, 2013
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4DV9
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![BU of 4dv9 by Molmil](/molmil-images/mine/4dv9) | Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION | 著者 | Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. | 登録日 | 2012-02-23 | 公開日 | 2013-01-16 | 最終更新日 | 2021-09-15 | 実験手法 | X-RAY DIFFRACTION (2.076 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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2RMP
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![BU of 2rmp by Molmil](/molmil-images/mine/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
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![BU of 2ren by Molmil](/molmil-images/mine/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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4BEL
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![BU of 4bel by Molmil](/molmil-images/mine/4bel) | BACE2 XAPERONE COMPLEX | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ... | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | 登録日 | 2013-03-11 | 公開日 | 2013-05-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D, 69, 2013
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4DI2
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![BU of 4di2 by Molmil](/molmil-images/mine/4di2) | Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | 分子名称: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-01-30 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J.Med.Chem., 55, 2012
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4DJW
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4APE
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![BU of 4ape by Molmil](/molmil-images/mine/4ape) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | 分子名称: | ENDOTHIAPEPSIN | 著者 | Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L. | 登録日 | 1986-06-09 | 公開日 | 1986-07-14 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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4DJY
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3ZKQ
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![BU of 3zkq by Molmil](/molmil-images/mine/3zkq) | BACE2 XAPERONE COMPLEX | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ... | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | 登録日 | 2013-01-24 | 公開日 | 2013-05-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D, 69, 2013
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4GJ9
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![BU of 4gj9 by Molmil](/molmil-images/mine/4gj9) | Crystal structure of renin in complex with GP055321 (compound 4) | 分子名称: | (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Ostermann, N, Zink, F, Kroemer, M. | 登録日 | 2012-08-09 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. J.Med.Chem., 56, 2013
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4GMI
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![BU of 4gmi by Molmil](/molmil-images/mine/4gmi) | BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571 | 分子名称: | (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, ACETATE ION, Beta-secretase 1, ... | 著者 | Lindberg, J.D, Derbyshire, D. | 登録日 | 2012-08-16 | 公開日 | 2013-09-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of novel BACE-1 inhibitors To be Published
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3ZKG
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![BU of 3zkg by Molmil](/molmil-images/mine/3zkg) | BACE2 MUTANT APO STRUCTURE | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2 | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | 登録日 | 2013-01-23 | 公開日 | 2013-05-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D, 69, 2013
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4AA9
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![BU of 4aa9 by Molmil](/molmil-images/mine/4aa9) | Camel chymosin at 1.6A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHYMOSIN, GLYCEROL, ... | 著者 | Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S. | 登録日 | 2011-11-30 | 公開日 | 2012-12-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties. Acta Crystallogr.,Sect.D, 69, 2013
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4FM7
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![BU of 4fm7 by Molmil](/molmil-images/mine/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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4FRK
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![BU of 4frk by Molmil](/molmil-images/mine/4frk) | Crystal structure of BACE1 in complex with aminooxazoline xanthene 11a | 分子名称: | (4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-06-26 | 公開日 | 2012-09-12 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
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4B72
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![BU of 4b72 by Molmil](/molmil-images/mine/4b72) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | 分子名称: | (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 | 著者 | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | 登録日 | 2012-08-16 | 公開日 | 2013-06-26 | 最終更新日 | 2013-07-03 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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2QMD
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![BU of 2qmd by Molmil](/molmil-images/mine/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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3ZLQ
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![BU of 3zlq by Molmil](/molmil-images/mine/3zlq) | BACE2 XAPERONE COMPLEX | 分子名称: | 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, BETA-SECRETASE 2, XA4813 | 著者 | Kuglstatter, A, Stihle, M. | 登録日 | 2013-02-04 | 公開日 | 2013-05-01 | 最終更新日 | 2013-06-05 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease. J.Med.Chem., 56, 2013
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2Q15
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![BU of 2q15 by Molmil](/molmil-images/mine/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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3ZKI
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![BU of 3zki by Molmil](/molmil-images/mine/3zki) | BACE2 MUTANT STRUCTURE WITH LIGAND | 分子名称: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2 | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | 登録日 | 2013-01-23 | 公開日 | 2013-05-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D, 69, 2013
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4FCO
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![BU of 4fco by Molmil](/molmil-images/mine/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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4AA8
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![BU of 4aa8 by Molmil](/molmil-images/mine/4aa8) | Bovine chymosin at 1.8A resolution | 分子名称: | CHLORIDE ION, CHYMOSIN | 著者 | Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S. | 登録日 | 2011-11-30 | 公開日 | 2012-12-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties. Acta Crystallogr.,Sect.D, 69, 2013
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4FRJ
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![BU of 4frj by Molmil](/molmil-images/mine/4frj) | Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l | 分子名称: | (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-06-26 | 公開日 | 2012-09-12 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
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4FRS
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![BU of 4frs by Molmil](/molmil-images/mine/4frs) | |