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PDB: 805 results

5P03
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BU of 5p03 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 50
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 (1.49 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OYQ
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BU of 5oyq by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 1
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 (1.49 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
4Y57
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BU of 4y57 by Molmil
Endothiapepsin in complex with fragment 63
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, 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 (1.49 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
5OZG
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BU of 5ozg by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 27
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 (1.49 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0G
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BU of 5p0g by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 63
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 (1.49 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZA
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BU of 5oza by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 21
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 (1.49 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5QBE
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BU of 5qbe by Molmil
Crystal structure of Endothiapepsin-FRG175 complex
Descriptor: 1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline, 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 (1.498 Å)
Cite:Crystal structure of Endothiapepsin
To be published
5P56
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BU of 5p56 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 231
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 (1.499 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1U
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BU of 5p1u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 113
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 (1.499 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5QB7
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BU of 5qb7 by Molmil
Crystal structure of Endothiapepsin-FRG075 complex
Descriptor: (3R,5R)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huschmann, F.
Deposit date:2017-08-04
Release date:2020-04-22
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Endothiapepsin
To be published
3PCZ
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BU of 3pcz by Molmil
Endothiapepsin in complex with benzamidine
Descriptor: BENZAMIDINE, DIMETHYL SULFOXIDE, Endothiapepsin
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-10-22
Release date:2011-10-19
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
5OZI
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BU of 5ozi by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 29
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 (1.5 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5DR4
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BU of 5dr4 by Molmil
Endothiapepsin in complex with fragment 231
Descriptor: 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
5OZQ
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BU of 5ozq by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 37
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 (1.503 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0L
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BU of 5p0l by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 68
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 (1.508 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P00
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BU of 5p00 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 47
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 (1.508 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P01
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BU of 5p01 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 48
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 (1.514 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5DQ2
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BU of 5dq2 by Molmil
Endothiapepsin in complex with fragment 48
Descriptor: 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ...
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 (1.514 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
5P1O
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BU of 5p1o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 107
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 (1.515 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1N
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BU of 5p1n by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 106
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 (1.516 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4J
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BU of 5p4j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 208
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 (1.517 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P83
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BU of 5p83 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 336
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 (1.518 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2W
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BU of 5p2w by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 149
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 (1.518 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1Y
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BU of 5p1y by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 117
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 (1.518 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2Z
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BU of 5p2z by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 152
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 (1.519 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

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