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PDB: 804 results
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
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
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
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
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
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
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
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
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
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
5QBH
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BU of 5qbh by Molmil
Crystal structure of Endothiapepsin-FRG270 complex
Descriptor: 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide, 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 (1.469 Å)
Cite:Crystal structure of Endothiapepsin
To be published
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
5P6B
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BU of 5p6b by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 272
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
5DQ5
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BU of 5dq5 by Molmil
Endothiapepsin in complex with fragment 209
Descriptor: 3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine, ACETATE ION, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2015-09-14
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
to be published
5DR8
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BU of 5dr8 by Molmil
Endothiapepsin in complex with fragment 330
Descriptor: 2-chlorobenzohydrazide, ACETATE ION, Endothiapepsin, ...
Authors:Heine, A, Knoerlein, A, Schiebel, J, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
5P4K
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BU of 5p4k by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 209
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 (1.47 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
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
5P7R
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BU of 5p7r by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 324
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 (1.476 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZV
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BU of 5ozv by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 42
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 (1.476 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P29
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BU of 5p29 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 127
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 (1.477 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8O
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BU of 5p8o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 357
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 (1.477 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5QB9
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BU of 5qb9 by Molmil
Crystal structure of Endothiapepsin-FRG081 complex
Descriptor: (1S,2S,3S,4R,5R)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol, 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 (1.478 Å)
Cite:Crystal structure of Endothiapepsin
To be published
5OZ1
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BU of 5oz1 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 12
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 (1.478 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

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