4XX3
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4XXS
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![BU of 4xxs by Molmil](/molmil-images/mine/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
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4Y36
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![BU of 4y36 by Molmil](/molmil-images/mine/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
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4Y39
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![BU of 4y39 by Molmil](/molmil-images/mine/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
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4Y3G
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4Y3X
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4Y4A
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![BU of 4y4a by Molmil](/molmil-images/mine/4y4a) | |
4Y3R
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4Y3S
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4Y47
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![BU of 4y47 by Molmil](/molmil-images/mine/4y47) | Endothiapepsin in complex with fragment 162 | 分子名称: | 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ACETATE ION, Endothiapepsin, ... | 著者 | Krimmer, S.G, Krug, M, Uehlein, M, Heine, A, Klebe, G. | 登録日 | 2015-02-10 | 公開日 | 2016-02-17 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y4J
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![BU of 4y4j by Molmil](/molmil-images/mine/4y4j) | Endothiapepsin in complex with fragment B97 | 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 | 2016-05-11 | 実験手法 | X-RAY DIFFRACTION (1.03 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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4Y53
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![BU of 4y53 by Molmil](/molmil-images/mine/4y53) | Endothiapepsin in complex with fragment 54 | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine, Endothiapepsin, ... | 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 (1.62 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y5C
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4Y5M
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![BU of 4y5m by Molmil](/molmil-images/mine/4y5m) | Endothiapepsin in complex with fragment 328 | 分子名称: | 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 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 (1.28 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y6M
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![BU of 4y6m by Molmil](/molmil-images/mine/4y6m) | Structure of plasmepsin II from Plasmodium falciparum complexed with inhibitor PG418 | 分子名称: | GLYCEROL, Plasmepsin-2, ~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide | 著者 | Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. | 登録日 | 2015-02-13 | 公開日 | 2015-12-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.27 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
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4YD7
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4ZEA
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![BU of 4zea by Molmil](/molmil-images/mine/4zea) | Endothiapepsin in complex with fragment B91 | 分子名称: | 1,2-ETHANEDIOL, 2-IMINOBIOTIN, ACETATE ION, ... | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | 登録日 | 2015-04-20 | 公開日 | 2016-05-04 | 最終更新日 | 2016-05-11 | 実験手法 | X-RAY DIFFRACTION (1.2 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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4ZPE
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4ZPF
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4ZPG
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4Y3P
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![BU of 4y3p by Molmil](/molmil-images/mine/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
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4Y3L
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![BU of 4y3l by Molmil](/molmil-images/mine/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
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4Y3M
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4Y3Y
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![BU of 4y3y by Molmil](/molmil-images/mine/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
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4Y4B
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![BU of 4y4b by Molmil](/molmil-images/mine/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
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