3LPK
 
 | | Structure of BACE Bound to SCH747123 | | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide | | 著者 | Strickland, C, Cumming, J. | | 登録日 | 2010-02-05 | | 公開日 | 2010-04-14 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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3LNK
 | | Structure of BACE bound to SCH743813 | | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | 著者 | Orth, P, Cumming, J. | | 登録日 | 2010-02-02 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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5MB5
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3L5D
 | | Structure of BACE Bound to SCH723873 | | 分子名称: | 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3LIZ
 | | crystal structure of bla g 2 complexed with Fab 4C3 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C3 monoclonal antibody Heavy Chain, ... | | 著者 | Li, M, Gustchina, A, Glesner, J, Wunschmann, S, Pomes, A, Wlodawer, A. | | 登録日 | 2010-01-25 | | 公開日 | 2010-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mechanisms of allergen-antibody interaction of cockroach allergen Bla g 2 with monoclonal antibodies that inhibit IgE antibody binding.
Plos One, 6, 2011
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3L5F
 | | Structure of BACE Bound to SCH736201 | | 分子名称: | (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L5C
 | | Structure of BACE Bound to SCH723871 | | 分子名称: | 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3LHG
 | | Bace1 in complex with the aminohydantoin Compound 4g | | 分子名称: | (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | | 著者 | Olland, A.M. | | 登録日 | 2010-01-22 | | 公開日 | 2010-04-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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5MXD
 | | BACE-1 IN COMPLEX WITH LIGAND 32397778 | | 分子名称: | Beta-secretase 1, CHLORIDE ION, ~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine | | 著者 | Alexander, R. | | 登録日 | 2017-01-23 | | 公開日 | 2018-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Human Beta Secretase 1 In Complex With Ligand 32397778
to be published
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3LPJ
 | | Structure of BACE Bound to SCH743641 | | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | 著者 | Strickland, C, Cumming, J. | | 登録日 | 2010-02-05 | | 公開日 | 2010-04-14 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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5N71
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) | | 分子名称: | DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION | | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | 登録日 | 2017-02-17 | | 公開日 | 2017-12-27 | | 最終更新日 | 2018-03-28 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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5N7Q
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... | | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | 登録日 | 2017-02-21 | | 公開日 | 2017-12-27 | | 最終更新日 | 2018-06-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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5NFG
 | | Structure of recombinant cardosin B from Cynara cardunculus | | 分子名称: | Procardosin-B,Procardosin-B, alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Pereira, P.J.B, Figueiredo, A.C, Manso, J.A, Almeida, C.M, Simoes, I. | | 登録日 | 2017-03-14 | | 公開日 | 2017-10-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.375 Å) | | 主引用文献 | Functional and structural characterization of synthetic cardosin B-derived rennet.
Appl. Microbiol. Biotechnol., 101, 2017
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3OAG
 | | Design and optimization of new piperidines as renin inhibitors | | 分子名称: | (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Prade, L. | | 登録日 | 2010-08-05 | | 公開日 | 2010-11-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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5N7N
 | | CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1) | | 分子名称: | AMMONIUM ION, Putative cathepsin d, SULFATE ION | | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | 登録日 | 2017-02-21 | | 公開日 | 2017-12-27 | | 最終更新日 | 2018-03-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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2OHM
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3MSJ
 | | Structure of bace (beta secretase) in complex with inhibitor | | 分子名称: | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, BETA-SECRETASE 1, GLYCEROL | | 著者 | Madden, J, Kramer, J, Smith, M.A, Barker, J, Godemann, R. | | 登録日 | 2010-04-29 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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5N70
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID | | 分子名称: | ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d | | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | 登録日 | 2017-02-17 | | 公開日 | 2017-12-27 | | 最終更新日 | 2018-03-28 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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5LWU
 | | Structure resulting from an endothiapepsin crystal soaked with a dimeric derivative of fragment 177 | | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2016-09-19 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.109 Å) | | 主引用文献 | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
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2OHK
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2OHU
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2OHN
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5LWT
 | | Endothiapepsin in complex with a methoxylated derivative of fragment 177 | | 分子名称: | 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2016-09-19 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.069 Å) | | 主引用文献 | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
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2OHP
 | | X-ray crystal structure of beta secretase complexed with compound 3 | | 分子名称: | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | 著者 | Patel, S. | | 登録日 | 2007-01-10 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
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2OHL
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