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Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
分子名称:	2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5
著者	Dougan, D.R.
登録日	2017-02-01
公開日	2017-06-07
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.95 Å)
主引用文献	Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure. ACS Med Chem Lett, 8, 2017

5OYX

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 8
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 (1.654 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZ7

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 18
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 (1.608 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZI

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 29
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 (1.5 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZT

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 40
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 (1.8 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P06

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 53
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 (1.319 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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

5OZ3

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 14
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 (1.754 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZC

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 23
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 (1.709 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

6JX1

Crystal structure of Formate dehydrogenase mutant V198I/C256I/P260S/E261P/S381N/S383F from Pseudomonas sp. 101
分子名称:	Formate dehydrogenase, GLYCEROL
著者	Feng, Y, Xue, S, Guo, X, Zhao, Z.
登録日	2019-04-21
公開日	2020-05-13
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.233 Å)
主引用文献	Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor. Chemistry, 26, 2020

6JUK

Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101 in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide
分子名称:	Formate dehydrogenase, GLYCEROL, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者	Feng, Y, Xue, S, Guo, X, Zhao, Z.
登録日	2019-04-14
公開日	2020-05-13
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.293 Å)
主引用文献	Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor. Chemistry, 26, 2020

6JWG

Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101
分子名称:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Formate dehydrogenase, GLYCEROL
著者	Feng, Y, Guo, X, Xue, S, Zhao, Z.
登録日	2019-04-20
公開日	2020-05-13
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.081 Å)
主引用文献	Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor. Chemistry, 26, 2020

5OVB

Crystal structure of human BRD4(1) bromodomain in complex with DR46
分子名称:	Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
著者	Zhu, J, Caflisch, A.
登録日	2017-08-28
公開日	2018-10-10
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018

5OYR

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 2
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 (1.488 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZ1

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 12
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 (1.478 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZE

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 25
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 (1.241 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5OZO

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 35
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 (1.579 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P04

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 51
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 (1.669 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0F

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 62
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

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

5P1A

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 93
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

5OZX

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 44
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 (1.484 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P1N

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 106
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 (1.516 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P22

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 120
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 (1.309 Å)
主引用文献	High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

5P0A

Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 57
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 (1.818 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:	2144
表示件数:	25
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