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PDB: 849 results
5P6D
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BU of 5p6d by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 274
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OYV
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BU of 5oyv by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 6
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
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
4Y4G
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BU of 4y4g by Molmil
Endothiapepsin in complex with fragment B53
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.439 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
5P7P
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BU of 5p7p by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 322
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8U
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BU of 5p8u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 363
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P69
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BU of 5p69 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 270
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OYY
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BU of 5oyy by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 9
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4H
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BU of 5p4h by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 206
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.448 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZ0
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BU of 5oz0 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 11
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5QBC
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BU of 5qbc by Molmil
Crystal structure of Endothiapepsin-FRG164 complex
Descriptor: (1R,2S,3R,4R)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol, ACETATE ION, Endothiapepsin, ...
Authors:Huschmann, F.
Deposit date:2017-08-04
Release date:2020-04-22
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Crystal structure of Endothiapepsin
To be published
5P6H
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BU of 5p6h by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 278
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
3WZ8
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BU of 3wz8 by Molmil
Endothiapepsin in complex with Gewald reaction-derived inhibitor (8)
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Kuhnert, M, Steuber, H, Diederich, W.E.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
5DR1
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BU of 5dr1 by Molmil
Endothiapepsin in complex with fragment 278
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5A
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BU of 4y5a by Molmil
Endothiapepsin in complex with fragment 206
Descriptor: 1,2-ETHANEDIOL, 1-[5-(trifluoromethyl)furan-2-yl]methanamine, ACETATE ION, ...
Authors:Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
To Be Published
5P27
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BU of 5p27 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 125
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
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
5P6T
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BU of 5p6t by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 290
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.457 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
4Y35
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BU of 4y35 by Molmil
Endothiapepsin in complex with fragment 290
Descriptor: 4-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.457 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
5P7T
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BU of 5p7t by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 326
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.459 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3P
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BU of 5p3p by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 178
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.459 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1Z
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BU of 5p1z by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 118
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.459 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0U
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BU of 5p0u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 77
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3V
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BU of 5p3v by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 184
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.468 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7X
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BU of 5p7x by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 330
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.469 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

223790

건을2024-08-14부터공개중

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