PDB: 1514 件ウェブページステータス検索Chemie searchBIRD

---

3Q6Y	Endothiapepsin in complex with a pyrrolidine based inhibitor 分子名称: (3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate), DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Koester, H, Heine, A, Klebe, G. 登録日 2011-01-04 公開日 2012-01-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.351 Å) 主引用文献 Endothiapepsin in complex with a pyrrolidine based inhibitor To be Published
3QRV	Crystal structure of plasmepsin I (PMI) from Plasmodium falciparum 分子名称: Plasmepsin-1 著者 Bhaumik, P, Gustchina, A, Wlodawer, A. 登録日 2011-02-18 公開日 2011-05-11 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum. J.Struct.Biol., 175, 2011
3QVC	Crystal structure of histo-aspartic protease (HAP) zymogen from Plasmodium falciparum 分子名称: 1,2-ETHANEDIOL, Histo-aspartic protease 著者 Bhaumik, P, Gustchina, A, Wlodawer, A. 登録日 2011-02-25 公開日 2011-10-12 最終更新日 2011-11-30 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum. Biochemistry, 50, 2011
3RU1	Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide 分子名称: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide, Beta-secretase 1, GLYCEROL, ... 著者 Sickmier, E.A. 登録日 2011-05-04 公開日 2011-08-31 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011
3U6A	Rational Design and Synthesis of Aminopiperazinones as Beta Secretase (BACE) Inhibitors 分子名称: Beta-secretase 1, N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide, SULFATE ION 著者 Spurlino, J.C, Alexander, R.S. 登録日 2011-10-12 公開日 2011-11-09 最終更新日 2013-09-04 実験手法 X-RAY DIFFRACTION (2.199 Å) 主引用文献 Rational design and synthesis of aminopiperazinones as beta-secretase (BACE) inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3OHH	Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with bms-681889 aka n~1~-butyl-5-cyano- n~3~-((1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-((3- methoxybenzyl)amino)propyl)-n~1~-methyl-1h-indole-1,3- dicarboxamide 分子名称: Beta-secretase 1, GLYCEROL, N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide, ... 著者 Muckelbauer, J.K. 登録日 2010-08-17 公開日 2011-04-06 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1. Bioorg.Med.Chem.Lett., 21, 2011
3WB4	Crystal Structure of beta secetase in complex with 2-amino-3,6-dimethyl-6-(2-phenylethyl)-3,4,5,6-tetrahydropyrimidin-4-one 分子名称: (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... 著者 Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. 登録日 2013-05-13 公開日 2013-10-02 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations Bioorg.Med.Chem., 21, 2013
3OHF	Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide 分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ... 著者 Muckelbauer, J.K. 登録日 2010-08-17 公開日 2011-04-06 最終更新日 2017-03-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1. Bioorg.Med.Chem.Lett., 21, 2011
3S7L	Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors 分子名称: (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 著者 Chopra, R, Olland, A, Svenson, K. 登録日 2011-05-26 公開日 2011-08-31 実験手法 X-RAY DIFFRACTION (2.162 Å) 主引用文献 New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region. Bioorg.Med.Chem.Lett., 21, 2011
3RVI	Structure of Bace-1 (Beta-Secretase) in Complex with 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide 分子名称: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, GLYCEROL, ... 著者 Sickmier, E.A. 登録日 2011-05-06 公開日 2011-08-31 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011
3SFC	Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Renin, ... 著者 Scheiper, B, Matter, H, Steinhagen, H, Bocskei, Z, Fleury, V, McCort, G. 登録日 2011-06-13 公開日 2011-08-31 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3SKG	Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide 分子名称: (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide, Beta-secretase 1 著者 Muckelbauer, J.K. 登録日 2011-06-22 公開日 2011-09-07 最終更新日 2012-12-05 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3WZ8	Endothiapepsin in complex with Gewald reaction-derived inhibitor (8) 分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Kuhnert, M, Steuber, H, Diederich, W.E. 登録日 2014-09-19 公開日 2015-08-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
3ZKS	BACE2 XAPERONE COMPLEX WITH INHIBITOR 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, XA4813 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 (2.11 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
3ZKN	BACE2 FAB INHIBITOR COMPLEX 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, DIMETHYL SULFOXIDE, ... 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 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
3WZ6	Endothiapepsin in complex with Gewald reaction-derived inhibitor (5) 分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Kuhnert, M, Steuber, H, Diederich, W.E. 登録日 2014-09-19 公開日 2015-08-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.404 Å) 主引用文献 Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
7QYH	Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor 分子名称: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II 著者 Bobrovs, R, Jaudzems, K. 登録日 2022-01-28 公開日 2022-06-29 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.33 Å) 主引用文献 Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials. J.Chem.Inf.Model., 62, 2022
7QLU	Endothiapepsin apo at 100K 分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Endothiapepsin 著者 Huang, C.Y, Aumonier, S, Wang, M. 登録日 2021-12-20 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
7QLT	Endothiapepsin in complex with ligand TL00150 in 10% DMSO at 100K 分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Huang, C.Y, Aumonier, S, Wang, M. 登録日 2021-12-20 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
7QN3	Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 13) 分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Huang, C.Y, Aumonier, S, Wang, M. 登録日 2021-12-20 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
7QLY	Endothiapepsin apo at 298K 分子名称: Endothiapepsin 著者 Huang, C.Y, Aumonier, S, Wang, M. 登録日 2021-12-20 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
7QLZ	Endothiapepsin in 5% DMSO at 298 K 分子名称: Endothiapepsin 著者 Huang, C.Y, Aumonier, S, Wang, M. 登録日 2021-12-20 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
7QLW	Endothiapepsin in 10% DMSO at 100 K 分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin 著者 Huang, C.Y, Aumonier, S, Wang, M. 登録日 2021-12-20 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
7QLV	Endothiapepsin in 5% DMSO at 100 K 分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin 著者 Huang, C.Y, Aumonier, S, Wang, M. 登録日 2021-12-20 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
7QLX	Endothiapepsin in 20% DMSO at 100 K 分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin 著者 Huang, C.Y, Aumonier, S, Wang, M. 登録日 2021-12-20 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022

<23242526272829303132333435363738>