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4Y39
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BU of 4y39 by Molmil
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
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BU of 4y36 by Molmil
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
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BU of 4y3p by Molmil
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
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BU of 4y3m by Molmil
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
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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
4Y3G
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BU of 4y3g by Molmil
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
4Y3X
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BU of 4y3x by Molmil
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
4Y4A
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BU of 4y4a by Molmil
Endothiapepsin in complex with fragment 286
Descriptor: 5-(aminomethyl)-2-methoxyphenol, ACETATE ION, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.278 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
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
4Y58
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BU of 4y58 by Molmil
Endothiapepsin in complex with fragment 260
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, 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 (1.17 Å)
Cite:Crystallographic Fragment Sreening 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
4Y5K
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BU of 4y5k by Molmil
Endothiapepsin in complex with fragment 274
Descriptor: (1S)-2-amino-1-(4-fluorophenyl)ethanol, 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 (1.439 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
4YD5
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BU of 4yd5 by Molmil
Endothiapepsin in complex with fragment 236
Descriptor: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ...
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 (1.209 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3H
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BU of 4y3h by Molmil
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
4Y51
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BU of 4y51 by Molmil
Endothiapepsin in complex with fragment 52
Descriptor: 1,2-ETHANEDIOL, 2-amino-1-(4-bromophenyl)ethanone, 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 (1.603 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5B
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BU of 4y5b by Molmil
Endothiapepsin in complex with fragment 261
Descriptor: 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one, 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 (1.24 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published

219869

건을2024-05-15부터공개중

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