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Endothiapepsin in complex with fragment 321
分子名称:	ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者	Fu, K, Heine, A, Klebe, G.
登録日	2015-02-10
公開日	2016-02-17
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (1.482 Å)
主引用文献	Crystallographic Fragment Screening of an Entrire Library To Be Published

4Y5M

Endothiapepsin in complex with fragment 328
分子名称:	3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者	Fu, K, Heine, A, Klebe, G.
登録日	2015-02-11
公開日	2016-03-02
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.28 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4Y5N

Endothiapepsin in complex with fragment 337
分子名称:	1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
著者	Fu, K, Heine, A, Klebe, G.
登録日	2015-02-11
公開日	2016-03-02
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.29 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4Y4B

Endothiapepsin in complex with fragment 323
分子名称:	6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline, ACETATE ION, Endothiapepsin, ...
著者	Fu, K, 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 (1.108 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

4Y5P

Endothiapepsin in complex with fragment 338
分子名称:	2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者	Fu, K, Heine, A, Klebe, G.
登録日	2015-02-11
公開日	2016-03-02
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (1.229 Å)
主引用文献	Crystallographic Fragment Screening of an Entire Library To Be Published

8HFK

Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and halogenated aryl ketone
分子名称:	2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
著者	Hou, X.D, Yin, D.J, Rao, Y.J.
登録日	2022-11-10
公開日	2023-06-07
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins. Nat Commun, 14, 2023

8HFJ

Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone
分子名称:	2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
著者	Hou, X.D, Yin, D.J, Rao, Y.J.
登録日	2022-11-10
公開日	2023-06-07
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.75 Å)
主引用文献	Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins. Nat Commun, 14, 2023

6LQB

A third intermediate state of L,D-transpeptidase LdtMt2-ertapenem adduct
分子名称:	(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, ACETIC ACID, GLYCEROL, ...
著者	Li, D.F, Qin, Y.L.
登録日	2020-01-13
公開日	2021-01-13
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	A New State I-plus Observed for the L,D-transpeptidase LdtMt2-ertapenem Adduct Prog.Biochem.Biophys., 47, 2020

3SQJ

Recombinant human serum albumin from transgenic plant
分子名称:	MYRISTIC ACID, Serum albumin
著者	He, Y, Yang, D.
登録日	2011-07-05
公開日	2011-11-02
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Large-scale production of functional human serum albumin from transgenic rice seeds. Proc.Natl.Acad.Sci.USA, 108, 2011

5P0J

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 66
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 (1.15 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OYW

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 7
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 (1.483 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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

5P1B

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 94
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 (1.378 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P1M

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 105
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 (1.599 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P1W

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 115
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 (1.23 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZ5

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 16
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 (1.485 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZF

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 26
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 (1.527 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZR

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 38
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 (1.769 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P02

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 49
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	2024-10-09
実験手法	X-RAY DIFFRACTION (1.487 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P2A

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 128
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 (1.373 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P2O

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 142
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 (1.119 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P31

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 154
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 (1.249 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0D

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 60
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	2024-10-09
実験手法	X-RAY DIFFRACTION (1.849 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0V

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 78
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 (1.4 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P16

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 89
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 (1.64 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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