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Fibrin-stabilizing factor with a bound ligand
Descriptor:	CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2013-05-21
Release date:	2013-12-04
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (1.98 Å)
Cite:	Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants. Angew.Chem.Int.Ed.Engl., 52, 2013

4GB2

HIV-1 protease (mutant Q7K L33I L63I) in complex with a bicyclic pyrrolidine inhibitor
Descriptor:	(4aS,7aS)-1,4-bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, GLYCEROL, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2012-07-26
Release date:	2013-07-31
Last modified:	2023-09-13
Method:	X-RAY DIFFRACTION (1.788 Å)
Cite:	Cocrystallization of potent pyrrolidine based HIV-1 protease inhibitors To be Published

5MHN

FXIIIa in complex with the inhibitor ZED2360
Descriptor:	CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2016-11-24
Release date:	2017-12-20
Last modified:	2024-10-16
Method:	X-RAY DIFFRACTION (2.48 Å)
Cite:	FXIIIa in complex with the inhibitor Mi0621 To Be Published

5MHL

FXIIIa in complex with the inhibitor Mi0621
Descriptor:	1,2-ETHANEDIOL, CALCIUM ION, Coagulation factor XIII A chain, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2016-11-24
Release date:	2017-12-20
Method:	X-RAY DIFFRACTION (2.4 Å)
Cite:	FXIIIa in complex with the inhibitor Mi0621 To Be Published

5MHM

FXIIIa in complex with the inhibitor ZED1630
Descriptor:	CALCIUM ION, CHLORIDE ION, Coagulation factor XIII A chain, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2016-11-24
Release date:	2017-12-20
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (2.12 Å)
Cite:	FXIIIa in complex with the inhibitor Mi0621 To Be Published

5MHO

FXIIIa in complex with the inhibitor ZED2369
Descriptor:	CALCIUM ION, Coagulation factor XIII A chain, SULFATE ION, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2016-11-24
Release date:	2017-12-20
Last modified:	2024-10-09
Method:	X-RAY DIFFRACTION (2.92 Å)
Cite:	FXIIIa in complex with the inhibitor ZED2369 To Be Published

4YD5

Endothiapepsin in complex with fragment 236
Descriptor:	1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2015-02-20
Release date:	2016-03-02
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.209 Å)
Cite:	Crystallographic Fragment Screening of an Entire Library To Be Published

4YCY

Endothiapepsin in complex with fragment 218
Descriptor:	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2015-02-20
Release date:	2016-03-02
Last modified:	2024-10-09
Method:	X-RAY DIFFRACTION (1.699 Å)
Cite:	Crystallographic Fragment Screening of an Entire Library To Be Published

4YD6

Endothiapepsin in complex with fragment 240
Descriptor:	1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2015-02-21
Release date:	2016-03-02
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.298 Å)
Cite:	Crystallographic Fragment Screening of an Entire Library To Be Published

4YCT

Endothiapepsin in complex with fragment 216
Descriptor:	1,2-ETHANEDIOL, 4-(trifluoromethyl)benzenecarboximidamide, ACETATE ION, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2015-02-20
Release date:	2016-03-02
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (1.13 Å)
Cite:	Crystallographic Fragment Screening of an Entire Library To Be Published

4YD3

Endothiapepsin in complex with fragment 224
Descriptor:	2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2015-02-20
Release date:	2016-03-02
Last modified:	2024-10-09
Method:	X-RAY DIFFRACTION (1.248 Å)
Cite:	Crystallographic Fragment Screening of an Entire Library To Be Published

4YD4

Endothiapepsin in complex with fragment 227
Descriptor:	1,2-ETHANEDIOL, 4-(bromomethyl)benzoic acid, BROMIDE ION, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2015-02-20
Release date:	2016-03-02
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (1.27 Å)
Cite:	Crystallographic Fragment Screening of an Entire Library To Be Published

4YD7

Endothiapepsin in complex with fragment 255
Descriptor:	2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, ACETATE ION, Endothiapepsin, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2015-02-21
Release date:	2016-03-02
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.419 Å)
Cite:	Crystallographic Fragment Screening of an Entire Library To Be Published

4YCK

Endothiapepsin in complex with fragment 211
Descriptor:	ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:	Stieler, M, Heine, A, Klebe, G.
Deposit date:	2015-02-20
Release date:	2016-03-02
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (1.07 Å)
Cite:	Crystallographic Fragment Screening of an Entire Library To Be Published

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

5P85

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 338
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 (1.229 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P8K

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 353
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 (1.259 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:	2024-10-23
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:	2024-10-23
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:	2024-10-23
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:	2024-10-16
Method:	X-RAY DIFFRACTION (1.725 Å)
Cite:	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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Total results:	383
Displayed results:	25
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