PDB: 1514 resultsInfo pagesStatus searchChemie searchBIRD

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4Y43	Endothiapepsin in complex with fragment 42 Descriptor: (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine, 1,2-ETHANEDIOL, Endothiapepsin, ... Authors: Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y41	Endothiapepsin in complex with fragment 112 Descriptor: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.403 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3Z	Endothiapepsin in complex with fragment 41 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ... Authors: Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3Y	Endothiapepsin in complex with fragment B42 Descriptor: 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.346 Å) Cite: 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
4Y3X	Endothiapepsin in complex with fragment 171 Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Krimmer, S.G, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3W	Endothiapepsin in complex with fragment 35 Descriptor: (2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine, 1,2-ETHANEDIOL, Endothiapepsin, ... Authors: Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3T	Endothiapepsin in complex with fragment 207 Descriptor: (3R)-piperidin-3-yl(piperidin-1-yl)methanone, (3S)-piperidin-3-yl(piperidin-1-yl)methanone, ACETATE ION, ... Authors: Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Crystallographic Fragment Sreening of an Entire Library To Be Published
4Y3S	Endothiapepsin in complex with fragment 266 Descriptor: 6-(dimethylamino)pyridine-3-carboxylic acid, ACETATE ION, Endothiapepsin, ... Authors: Krimmer, S.G, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3R	Endothiapepsin in complex with fragment 306 Descriptor: 2-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Wang, X, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3Q	Endothiapepsin in complex with fragment 109 Descriptor: 4-(diethylamino)benzohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3P	Endothiapepsin in complex with fragment 17 Descriptor: 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL Authors: Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3N	Endothiapepsin in complex with fragment 273 Descriptor: 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide, ACETATE ION, Endothiapepsin, ... Authors: Krimmer, S.G, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.34 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3M	Endothiapepsin in complex with fragment 103 Descriptor: 2-(4-fluorophenyl)acetohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3L	Endothiapepsin in complex with fragment 205 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Crystallographic Fragment Sreening of an Entire Library To Be Published
4Y3J	Endothiapepsin in complex with fragment B30 Descriptor: 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2016-05-11 Method: X-RAY DIFFRACTION (1.31 Å) Cite: 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
4Y3H	Endothiapepsin in complex with fragment 189 Descriptor: 2-(pyridin-3-yl)ethanamine, ACETATE ION, Endothiapepsin, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.23 Å) Cite: Crystallographic Fragment Sreening of an Entire Library To Be Published
4Y3G	Endothiapepsin in complex with fragment 285 Descriptor: Endothiapepsin, GLYCEROL, N-[3-(aminomethyl)phenyl]acetamide Authors: Krimmer, S.G, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3F	Endothiapepsin in complex with fragment 78 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3E	Endothiapepsin in complex with fragment 5 Descriptor: 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3D	Endothiapepsin in complex with fragment 321 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Fu, K, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.482 Å) Cite: Crystallographic Fragment Screening of an Entrire Library To Be Published
4Y3A	Endothiapepsin in complex with fragment 181 Descriptor: 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Crystallographic Fragment Sreening of an Entire Library To Be Published
4Y39	Endothiapepsin in complex with fragment 75 Descriptor: 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, ACETATE ION, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y38	Endothiapepsin in complex with fragment B29 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. Deposit date: 2015-02-10 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.1 Å) Cite: 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
4Y37	Endothiapepsin in complex with fragement 305 Descriptor: 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ... Authors: Krimmer, S.G, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y36	Endothiapepsin in complex with fragment 4 Descriptor: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ... Authors: Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published

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