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PDB: 804 results
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
5P0Y
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BU of 5p0y by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 81
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 (1.32 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5DPZ
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BU of 5dpz by Molmil
Endothiapepsin in complex with fragment 31
Descriptor: 2-methylaniline, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
Deposit date:2015-09-14
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.328 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
5OZK
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BU of 5ozk by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 31
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 (1.328 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0O
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BU of 5p0o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 71
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 (1.328 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8J
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BU of 5p8j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 352
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 (1.329 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1R
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BU of 5p1r by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 110
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 (1.329 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4V
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BU of 5p4v by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 220
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 (1.329 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7M
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BU of 5p7m by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 319
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 (1.329 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P86
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BU of 5p86 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 339
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 (1.33 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5QBA
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BU of 5qba by Molmil
Crystal structure of Endothiapepsin-FRG134 complex
Descriptor: 2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Huschmann, F.
Deposit date:2017-08-04
Release date:2020-04-22
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.338 Å)
Cite:Crystal structure of Endothiapepsin
To be published
5P1I
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BU of 5p1i by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 101
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 (1.338 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6C
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BU of 5p6c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 273
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 (1.339 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3J
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BU of 5p3j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 172
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 (1.339 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6S
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BU of 5p6s by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 289
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 (1.339 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P5C
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BU of 5p5c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 237
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 (1.339 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
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
5RCQ
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BU of 5rcq by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 11
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5P6M
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BU of 5p6m by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 283
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 (1.345 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P28
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BU of 5p28 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 126
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 (1.345 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
4Y3Y
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BU of 4y3y by Molmil
Endothiapepsin in complex with fragment B42
Descriptor: 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ...
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 (1.346 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
5P1C
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BU of 5p1c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 95
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 (1.347 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4A
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BU of 5p4a by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 199
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 (1.348 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P87
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BU of 5p87 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 340
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 (1.349 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P18
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BU of 5p18 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 91
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 (1.349 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

221716

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