PDB: 1562 件ウェブページステータス検索Chemie searchBIRD

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4Y37	Endothiapepsin in complex with fragement 305 分子名称: 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, 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 (1.69 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4XX4	Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium 分子名称: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin 著者 Orth, P. 登録日 2015-01-29 公開日 2015-02-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors. Bioorg. Med. Chem. Lett., 25, 2015
4Y3A	Endothiapepsin in complex with fragment 181 分子名称: 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... 著者 Ehrmann, F.R, 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 Sreening of an Entire Library To Be Published
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
4Y38	Endothiapepsin in complex with fragment B29 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 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.1 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
4XXS	Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine 分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... 著者 Parris, K.D, Pandit, J. 登録日 2015-01-30 公開日 2015-04-01 最終更新日 2015-04-22 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
4Y39	Endothiapepsin in complex with fragment 75 分子名称: 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, 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 (1.2 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4XX3	Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin 著者 Orth, P. 登録日 2015-01-29 公開日 2015-02-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors. Bioorg. Med. Chem. Lett., 25, 2015
4Y36	Endothiapepsin in complex with fragment 4 分子名称: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ... 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 (1.59 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3P	Endothiapepsin in complex with fragment 17 分子名称: 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL 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 (1.55 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3M	Endothiapepsin in complex with fragment 103 分子名称: 2-(4-fluorophenyl)acetohydrazide, 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 (1.55 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
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
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
4Y3G	Endothiapepsin in complex with fragment 285 分子名称: Endothiapepsin, GLYCEROL, N-[3-(aminomethyl)phenyl]acetamide 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 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
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
4Y3X	Endothiapepsin in complex with fragment 171 分子名称: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 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
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
4Y4A	Endothiapepsin in complex with fragment 286 分子名称: 5-(aminomethyl)-2-methoxyphenol, ACETATE ION, Endothiapepsin, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-03-02 実験手法 X-RAY DIFFRACTION (1.278 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
4Y3L	Endothiapepsin in complex with fragment 205 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Ehrmann, F.R, Huschmann, F.U, 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 (1.16 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library To Be Published
4Y3Y	Endothiapepsin in complex with fragment B42 分子名称: 2-AMINO-4-METHYL-PENTAN-1-OL, 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 2024-01-10 実験手法 X-RAY DIFFRACTION (1.346 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
4Y4B	Endothiapepsin in complex with fragment 323 分子名称: 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline, ACETATE ION, 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 (1.108 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

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