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Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 257
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 (1.299 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P6A

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 271
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 (1.158 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P6P

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 286
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 (1.278 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P74

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 301
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 (1.04 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P7H

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 314
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 (1.188 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P7V

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 328
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 (1.28 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P8A

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 343
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 (1.268 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P8Q

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 359
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 (1.139 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5MNB

Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K)
Descriptor:	2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-12-13
Release date:	2017-05-24
Last modified:	2024-01-17
Method:	X-RAY DIFFRACTION (0.939 Å)
Cite:	Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017

5MJT

Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide
Descriptor:	DIMETHYL SULFOXIDE, GLYCEROL, Hirudin variant-2, ...
Authors:	Marca, A, Sandner, A, Heine, A, Klebe, G.
Deposit date:	2016-12-01
Release date:	2017-12-20
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide to be published

5OYQ

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

5OYY

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

5OZ8

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 19
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 (1.56 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZJ

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 30
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 (1.489 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZU

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 41
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 (1.118 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P07

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 54
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 (1.619 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0M

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 69
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 (1.119 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P10

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 83
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 (1.488 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P1K

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 103
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 (1.549 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P1Z

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

5P2E

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 132
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 (1.527 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P2S

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 145
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 (1.078 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P37

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 160
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 (1.419 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P3K

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 173
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 (1.747 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0J

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 66
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 (1.15 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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Displayed results:	25
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