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Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 45
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

5P0C

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 59
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 (1.819 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0Q

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 73
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 (1.48 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P14

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 87
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 (1.24 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P1J

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 102
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 (1.369 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P27

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

5P2M

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 140
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 (1.089 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P33

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 156
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 (1.26 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P3J

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

5P3X

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 186
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 (1.42 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P4B

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 200
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 (1.199 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P4Q

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 215
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 (1.587 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P56

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

5P5L

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 246
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 (1.725 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P5Z

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 260
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 (1.169 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P6E

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 275
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 (1.209 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P6T

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

5P77

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 304
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 (1.029 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P7I

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 315
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 (1.187 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P7X

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

5P8C

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 345
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

5P8P

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 358
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 (1.219 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5MNA

Cationic trypsin in complex with aniline (deuterated sample at 295 K)
Descriptor:	ANILINE, 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 (1.441 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

5MON

Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine
Descriptor:	2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:	Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
Deposit date:	2016-12-14
Release date:	2017-05-24
Last modified:	2024-05-01
Method:	NEUTRON DIFFRACTION (0.939 Å), X-RAY DIFFRACTION
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

5MM6

Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
Descriptor:	D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:	Marca, A, Sandner, A, Heine, A, Klebe, G.
Deposit date:	2016-12-08
Release date:	2017-12-20
Last modified:	2018-06-27
Method:	X-RAY DIFFRACTION (1.29 Å)
Cite:	Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide to be published

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Total results:	1719
Displayed results:	25
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