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

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4Y41	Endothiapepsin in complex with fragment 112 分子名称: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.403 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3E	Endothiapepsin in complex with fragment 5 分子名称: 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4G	Endothiapepsin in complex with fragment B53 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.439 Å) 主引用文献 Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
4Y3Q	Endothiapepsin in complex with fragment 109 分子名称: 4-(diethylamino)benzohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3J	Endothiapepsin in complex with fragment B30 分子名称: 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2016-05-11 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
4Y4T	Endothiapepsin in complex with fragment 114 分子名称: 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.301 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y54	Endothiapepsin in complex with fragment 56 分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Radeva, N, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y5E	Endothiapepsin in complex with fragment 268 分子名称: (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.116 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published
4Y5N	Endothiapepsin in complex with fragment 337 分子名称: 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... 著者 Fu, K, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4YA8	structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor PG394 分子名称: GLYCEROL, N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide, Plasmepsin-2 著者 Recacha, R, Leitans, J, Tars, K, Jaudzems, K. 登録日 2015-02-17 公開日 2015-12-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.301 Å) 主引用文献 Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors. Acta Crystallogr.,Sect.F, 71, 2015
4Y3D	Endothiapepsin in complex with fragment 321 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Fu, K, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.482 Å) 主引用文献 Crystallographic Fragment Screening of an Entrire Library To Be Published
4YD5	Endothiapepsin in complex with fragment 236 分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-20 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.209 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4U	Endothiapepsin in complex with fragment 14 分子名称: 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.754 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4Z	Endothiapepsin in complex with fragment 73 分子名称: (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y58	Endothiapepsin in complex with fragment 260 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published
4YBI	Crystal structure of BACE with amino thiazine inhibitor LY2811376 分子名称: (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL 著者 Timm, D.E. 登録日 2015-02-18 公開日 2015-04-01 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor. J.Neurosci., 31, 2011
4YCY	Endothiapepsin in complex with fragment 218 分子名称: 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-20 公開日 2016-03-02 実験手法 X-RAY DIFFRACTION (1.699 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4YD6	Endothiapepsin in complex with fragment 240 分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-21 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.298 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4YCT	Endothiapepsin in complex with fragment 216 分子名称: 1,2-ETHANEDIOL, 4-(trifluoromethyl)benzenecarboximidamide, ACETATE ION, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-20 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4YD3	Endothiapepsin in complex with fragment 224 分子名称: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-20 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.248 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y44	Endothiapepsin in complex with fragment 164 分子名称: 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile, ACETATE ION, Endothiapepsin, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y50	Endothiapepsin in complex with fragment 81 分子名称: 1,2-ETHANEDIOL, 3-(dimethylamino)benzohydrazide, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Z22	structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A 分子名称: 2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one, Plasmepsin-2 著者 Recacha, R, Leitans, J, Tars, K, Jaudzems, K. 登録日 2015-03-28 公開日 2016-01-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV. J.Med.Chem., 59, 2016
4ZSQ	BACE crystal structure with tricyclic aminothiazine inhibitor 分子名称: Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide 著者 Timm, D.E. 登録日 2015-05-13 公開日 2015-06-10 最終更新日 2015-06-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
4ZSR	BACE crystal structure with tricyclic aminothiazine inhibitor 分子名称: Beta-secretase 1, N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide 著者 Timm, D.E. 登録日 2015-05-13 公開日 2015-06-10 最終更新日 2015-06-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015

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