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Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 67
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0Y

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:	2024-10-23
Method:	X-RAY DIFFRACTION (1.32 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P1C

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:	2024-10-23
Method:	X-RAY DIFFRACTION (1.347 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P1Q

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 109
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-16
Method:	X-RAY DIFFRACTION (1.17 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P26

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 124
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-30
Method:	X-RAY DIFFRACTION (1.411 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P2K

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 138
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-16
Method:	X-RAY DIFFRACTION (1.822 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P2Z

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

5P3D

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 166
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 (1.18 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P3T

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 182
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

5P48

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 197
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (1.17 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P4L

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 210
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (1.079 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P50

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 225
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

5P5I

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 243
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 (1.18 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P5V

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 256
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-16
Method:	X-RAY DIFFRACTION (1.059 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P6B

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:	2024-10-23
Method:	X-RAY DIFFRACTION (1.469 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P6R

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 288
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-30
Method:	X-RAY DIFFRACTION (1.269 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P75

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 302
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-30
Method:	X-RAY DIFFRACTION (1.431 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P7J

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 316
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-30
Method:	X-RAY DIFFRACTION (1.307 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P7U

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 327
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 (1.098 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P8D

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 346
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-30
Method:	X-RAY DIFFRACTION (1.179 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P8S

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 361
Descriptor:	endothiapepsin
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-06-28
Release date:	2016-08-03
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (1.109 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5MHI

cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (5-chloro-2-methoxyphenyl)methanamine
Descriptor:	(4S)-2-METHYL-2,4-PENTANEDIOL, (5-chloranyl-2-methoxy-phenyl)methylazanium, DIMETHYL SULFOXIDE, ...
Authors:	Siefker, C, Heine, A, Klebe, G.
Deposit date:	2016-11-24
Release date:	2017-12-20
Last modified:	2024-10-16
Method:	X-RAY DIFFRACTION (1.489 Å)
Cite:	A crystallographic fragment study with cAMP-dependent protein kinase A To Be Published

5MNK

Cationic trypsin in complex with benzylamine (deuterated sample at 100 K)
Descriptor:	BENZYLAMINE, CALCIUM ION, Cationic trypsin, ...
Authors:	Schiebel, J, Heine, A, Klebe, G.
Deposit date:	2016-12-13
Release date:	2018-01-17
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (0.799 Å)
Cite:	Cationic trypsin in complex with benzylamine (deuterated sample at 100 K) to be published

5MNR

Thermolysin in complex with inhibitor JC256
Descriptor:	(2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
Authors:	Cramer, J, Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:	2016-12-13
Release date:	2017-06-21
Last modified:	2024-01-17
Method:	X-RAY DIFFRACTION (1.249 Å)
Cite:	Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017

5M9W

Experimental MAD phased structure of thermolysin in complex with inhibitor JC65.
Descriptor:	(2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:	Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
Deposit date:	2016-11-02
Release date:	2017-08-16
Last modified:	2024-05-08
Method:	X-RAY DIFFRACTION (1.21 Å)
Cite:	How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin. J. Am. Chem. Soc., 139, 2017

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Total results:	1719
Displayed results:	25
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