PDB: 97138 resultsInfo pagesStatus searchChemie searchBIRD

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4YCY	Endothiapepsin in complex with fragment 218 Descriptor: 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Stieler, M, Heine, A, Klebe, G. Deposit date: 2015-02-20 Release date: 2016-03-02 Method: X-RAY DIFFRACTION (1.699 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4YD6	Endothiapepsin in complex with fragment 240 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Stieler, M, Heine, A, Klebe, G. Deposit date: 2015-02-21 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.298 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
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
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
4Y4W	Endothiapepsin in complex with fragment 125 Descriptor: 1,2-ETHANEDIOL, 4-methylpiperidine-1-carboximidamide, ACETATE ION, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.451 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y56	Endothiapepsin in complex with fragment 58 Descriptor: 1,2-ETHANEDIOL, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, DIMETHYL SULFOXIDE, ... Authors: Radeva, N, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
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
4Y4E	Endothiapepsin in complex with fragment 131 Descriptor: ACETATE ION, Endothiapepsin, GLYCEROL, ... Authors: Krimmer, S.G, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2016-12-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y45	Endothiapepsin in complex with fragment 291 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Wang, X, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Method: X-RAY DIFFRACTION (1.06 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4X	Endothiapepsin in complex with fragment 51 Descriptor: 1,2-ETHANEDIOL, 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one, DIMETHYL SULFOXIDE, ... Authors: Radeva, N, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y57	Endothiapepsin in complex with fragment 63 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ... Authors: Radeva, N, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y5G	Endothiapepsin in complex with fragment 272 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Wang, X, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Crystallographic Fragment Sreening of an Entire Library to be published
4YCK	Endothiapepsin in complex with fragment 211 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Stieler, M, Heine, A, Klebe, G. Deposit date: 2015-02-20 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.07 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4YD4	Endothiapepsin in complex with fragment 227 Descriptor: 1,2-ETHANEDIOL, 4-(bromomethyl)benzoic acid, BROMIDE ION, ... Authors: Stieler, M, Heine, A, Klebe, G. Deposit date: 2015-02-20 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.27 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
5NL6	The crystal structure of the two spectrin repeat domains from Entamoeba histolytica Descriptor: BETA-MERCAPTOETHANOL, Calponin domain family protein Authors: Pinotsis, N, Djinovic-Carugo, K, Khan, M.B. Deposit date: 2017-04-04 Release date: 2018-05-16 Last modified: 2020-11-04 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin. Proc.Natl.Acad.Sci.USA, 117, 2020
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
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
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
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
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
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
4Y4T	Endothiapepsin in complex with fragment 114 Descriptor: 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.301 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y54	Endothiapepsin in complex with fragment 56 Descriptor: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... Authors: Radeva, N, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
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

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