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PDB: 849 件

Crystal structure of Endothiapepsin-FRG203 complex
分子名称:	2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol, ACETATE ION, Endothiapepsin, ...
著者	Huschmann, F.
登録日	2017-08-04
公開日	2020-04-22
最終更新日	2021-11-17
実験手法	X-RAY DIFFRACTION (1.268 Å)
主引用文献	Crystal structure of Endothiapepsin To be published

5P5A

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 235
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 (1.268 Å)
主引用文献	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
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 (1.268 Å)
主引用文献	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
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 (1.269 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P8F

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 348
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 (1.269 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P89

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 342
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 (1.269 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P7C

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 309
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 (1.269 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0W

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 79
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 (1.269 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P5E

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 239
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 (1.269 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

4Y4D

Endothiapepsin in complex with fragment B51
分子名称:	ACETATE ION, CAFFEINE, DIMETHYL SULFOXIDE, ...
著者	Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日	2015-02-10
公開日	2016-02-17
最終更新日	2016-05-11
実験手法	X-RAY DIFFRACTION (1.269 Å)
主引用文献	Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016

5P52

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 227
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 (1.27 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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	2024-01-10
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

5P0X

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 80
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 (1.27 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

8Q10

Endothiapepsin in complex with ligand (3R,5R)-3-(2-(hydroxymethyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-125)
分子名称:	(3~{R},5~{R})-3-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者	Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S.
登録日	2023-07-29
公開日	2024-08-07
実験手法	X-RAY DIFFRACTION (1.27 Å)
主引用文献	Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published

8Q0X

Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(propyl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-087)
分子名称:	(3~{R},5~{R})-3-[2-[[methyl(propyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者	Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S.
登録日	2023-07-29
公開日	2024-08-07
実験手法	X-RAY DIFFRACTION (1.27 Å)
主引用文献	Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published

3T7X

Endothiapepsin in complex with an inhibitor based on the Gewald reaction
分子名称:	ACETATE ION, Endothiapepsin, GLYCEROL, ...
著者	Koester, H, Heine, A, Klebe, G.
登録日	2011-07-31
公開日	2012-08-01
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.27 Å)
主引用文献	Endothiapepsin in complex with an inhibitor based on the Gewald reaction To be Published

5P6V

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 292
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 (1.276 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P41

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 190
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 (1.278 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

4Y4A

Endothiapepsin in complex with fragment 286
分子名称:	5-(aminomethyl)-2-methoxyphenol, ACETATE ION, Endothiapepsin, ...
著者	Wang, X, Heine, A, Klebe, G.
登録日	2015-02-10
公開日	2016-03-02
実験手法	X-RAY DIFFRACTION (1.278 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

5P6P

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

5P62

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 263
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 (1.278 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5QBK

Crystal structure of Endothiapepsin-NAT17-347144 complex
分子名称:	(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol, DIMETHYL SULFOXIDE, Endothiapepsin
著者	Huschmann, F.
登録日	2017-08-04
公開日	2020-04-22
最終更新日	2021-11-17
実験手法	X-RAY DIFFRACTION (1.279 Å)
主引用文献	Crystal structure of Endothiapepsin To be published

5P1D

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 96
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 (1.279 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P6Z

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 296
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 (1.279 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P8G

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 349
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 (1.279 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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全ヒット件数:	849
表示件数:	25
表示順	分解能の高い順
外部データベース:	UniProt P11838