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4Y5L
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BU of 4y5l by Molmil
Endothiapepsin in its apo form
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
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 (0.99 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y43
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BU of 4y43 by Molmil
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
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BU of 4y4e by Molmil
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
4Y3N
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BU of 4y3n by Molmil
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
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BU of 4y3z by Molmil
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
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BU of 4y4w by Molmil
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
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BU of 4y56 by Molmil
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
4Y45
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BU of 4y45 by Molmil
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
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BU of 4y4x by Molmil
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
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BU of 4y57 by Molmil
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
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BU of 4y5g by Molmil
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
4YD4
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BU of 4yd4 by Molmil
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
4YCK
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BU of 4yck by Molmil
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
4Y41
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BU of 4y41 by Molmil
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
4Y4T
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BU of 4y4t by Molmil
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
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BU of 4y54 by Molmil
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
4Y5E
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BU of 4y5e by Molmil
Endothiapepsin in complex with fragment 268
Descriptor: (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
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 (1.116 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
4Y5N
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BU of 4y5n by Molmil
Endothiapepsin in complex with fragment 337
Descriptor: 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3L
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BU of 4y3l by Molmil
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
4Y4B
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BU of 4y4b by Molmil
Endothiapepsin in complex with fragment 323
Descriptor: 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline, ACETATE ION, 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 (1.108 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3E
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BU of 4y3e by Molmil
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
4Y3Q
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BU of 4y3q by Molmil
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
4Y3D
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BU of 4y3d by Molmil
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
4Y4U
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BU of 4y4u by Molmil
Endothiapepsin in complex with fragment 14
Descriptor: 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y4Z
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BU of 4y4z by Molmil
Endothiapepsin in complex with fragment 73
Descriptor: (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, 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 (1.48 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published

221051

数据于2024-06-12公开中

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