PDB クエリの検索結果 - 日本蛋白質構造データバンク

PDB: 804 件

Endothiapepsin in complex with a fragment
分子名称:	4-(trifluoromethyl)benzenecarboximidamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者	Koester, H, Heine, A, Klebe, G.
登録日	2010-10-22
公開日	2011-10-19
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011

8C6Q

Fragment screening hit II bound to endothiapepsin
分子名称:	3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL
著者	Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D.
登録日	2023-01-12
公開日	2023-05-24
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023

4Y3E

Endothiapepsin in complex with fragment 5
分子名称:	1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者	Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日	2015-02-10
公開日	2016-02-17
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

5OYU

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 5
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 (1.25 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P68

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 269
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 (1.25 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P3I

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 171
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 (1.25 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

4LBT

Endothiapepsin in complex with 100mM acylhydrazone inhibitor
分子名称:	(2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者	Radeva, N, Heine, A, Winquist, J, Klebe, G.
登録日	2013-06-21
公開日	2014-04-02
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.251 Å)
主引用文献	Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. Angew.Chem.Int.Ed.Engl., 53, 2014

5P4C

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 201
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 (1.257 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P3F

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 168
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 (1.257 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P5K

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 245
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 (1.259 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P25

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 123
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 (1.259 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P49

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 198
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 (1.259 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P1F

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 98
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 (1.259 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P6J

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 280
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 (1.259 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	2021-11-17
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

5P7Z

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 332
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 (1.259 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0Z

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 82
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 (1.26 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	2021-11-17
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

5P3C

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 165
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 (1.266 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5QBF

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

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

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

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

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

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全ヒット件数:	804
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