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Fibrin-stabilizing factor with a bound ligand
分子名称:	CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2013-05-21
公開日	2013-12-04
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (1.98 Å)
主引用文献	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
分子名称:	(4aS,7aS)-1,4-bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, GLYCEROL, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2012-07-26
公開日	2013-07-31
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.788 Å)
主引用文献	Cocrystallization of potent pyrrolidine based HIV-1 protease inhibitors To be Published

5MHN

FXIIIa in complex with the inhibitor ZED2360
分子名称:	CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2016-11-24
公開日	2017-12-20
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (2.48 Å)
主引用文献	FXIIIa in complex with the inhibitor Mi0621 To Be Published

5MHL

FXIIIa in complex with the inhibitor Mi0621
分子名称:	1,2-ETHANEDIOL, CALCIUM ION, Coagulation factor XIII A chain, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2016-11-24
公開日	2017-12-20
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	FXIIIa in complex with the inhibitor Mi0621 To Be Published

5MHM

FXIIIa in complex with the inhibitor ZED1630
分子名称:	CALCIUM ION, CHLORIDE ION, Coagulation factor XIII A chain, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2016-11-24
公開日	2017-12-20
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.12 Å)
主引用文献	FXIIIa in complex with the inhibitor Mi0621 To Be Published

5MHO

FXIIIa in complex with the inhibitor ZED2369
分子名称:	CALCIUM ION, Coagulation factor XIII A chain, SULFATE ION, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2016-11-24
公開日	2017-12-20
最終更新日	2024-10-09
実験手法	X-RAY DIFFRACTION (2.92 Å)
主引用文献	FXIIIa in complex with the inhibitor ZED2369 To Be Published

4YD5

Endothiapepsin in complex with fragment 236
分子名称:	1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2015-02-20
公開日	2016-03-02
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.209 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4YCY

Endothiapepsin in complex with fragment 218
分子名称:	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2015-02-20
公開日	2016-03-02
最終更新日	2024-10-09
実験手法	X-RAY DIFFRACTION (1.699 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4YD6

Endothiapepsin in complex with fragment 240
分子名称:	1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2015-02-21
公開日	2016-03-02
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.298 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4YCT

Endothiapepsin in complex with fragment 216
分子名称:	1,2-ETHANEDIOL, 4-(trifluoromethyl)benzenecarboximidamide, ACETATE ION, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2015-02-20
公開日	2016-03-02
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.13 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4YD3

Endothiapepsin in complex with fragment 224
分子名称:	2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2015-02-20
公開日	2016-03-02
最終更新日	2024-10-09
実験手法	X-RAY DIFFRACTION (1.248 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4YD4

Endothiapepsin in complex with fragment 227
分子名称:	1,2-ETHANEDIOL, 4-(bromomethyl)benzoic acid, BROMIDE ION, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2015-02-20
公開日	2016-03-02
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.27 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4YD7

Endothiapepsin in complex with fragment 255
分子名称:	2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, ACETATE ION, Endothiapepsin, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2015-02-21
公開日	2016-03-02
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.419 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4YCK

Endothiapepsin in complex with fragment 211
分子名称:	ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者	Stieler, M, Heine, A, Klebe, G.
登録日	2015-02-20
公開日	2016-03-02
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.07 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2021-11-17
実験手法	X-RAY DIFFRACTION (1.451 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2021-11-17
実験手法	X-RAY DIFFRACTION (1.089 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.229 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (1.259 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.26 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2021-11-17
実験手法	X-RAY DIFFRACTION (1.339 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.42 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2021-11-17
実験手法	X-RAY DIFFRACTION (1.199 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2021-11-17
実験手法	X-RAY DIFFRACTION (1.587 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.499 Å)
主引用文献	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
分子名称:	endothiapepsin
著者	Schiebel, J, Heine, A, Klebe, G.
登録日	2016-06-28
公開日	2016-08-03
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (1.725 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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