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4YD3
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BU of 4yd3 by Molmil
Endothiapepsin in complex with fragment 224
Descriptor: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
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 (1.248 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y44
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BU of 4y44 by Molmil
Endothiapepsin in complex with fragment 164
Descriptor: 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile, 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 (1.24 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y50
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BU of 4y50 by Molmil
Endothiapepsin in complex with fragment 81
Descriptor: 1,2-ETHANEDIOL, 3-(dimethylamino)benzohydrazide, 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 (1.32 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
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
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
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

225158

数据于2024-09-18公开中

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