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2Q0S
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BU of 2q0s by Molmil
Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase
分子名称: Aryl esterase, SULFATE ION
著者Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R.
登録日2007-05-22
公開日2007-12-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
2Q0Q
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BU of 2q0q by Molmil
Structure of the Native M. Smegmatis Aryl Esterase
分子名称: GLYCEROL, SULFATE ION, aryl esterase
著者Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R.
登録日2007-05-22
公開日2007-12-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
9FBY
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BU of 9fby by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with (5-(4-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2024-05-14
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 67, 2024
9FBX
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BU of 9fbx by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ...
著者Chung, C.
登録日2024-05-14
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 67, 2024
8B5G
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BU of 8b5g by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one, ...
著者Chung, C.
登録日2022-09-22
公開日2022-11-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
8B5H
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BU of 8b5h by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one
分子名称: (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ...
著者Chung, C.
登録日2022-09-22
公開日2022-11-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
8B5I
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BU of 8b5i by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one
分子名称: (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Chung, C.
登録日2022-09-22
公開日2022-11-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
8B5J
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BU of 8b5j by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one
分子名称: (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Chung, C.
登録日2022-09-22
公開日2022-11-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
8OIY
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BU of 8oiy by Molmil
Crystal structure of the R15908H missense variant of titin domain Fn3-3
分子名称: Titin
著者Rees, M, Gautel, M.
登録日2023-03-23
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8OSD
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BU of 8osd by Molmil
Crystal structure of the titin domain Fn3-49
分子名称: Titin
著者Nikoopour, R, Rees, M, Gautel, M.
登録日2023-04-18
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8OQ9
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BU of 8oq9 by Molmil
Crystal structure of the titin domain Fn3-56
分子名称: CHLORIDE ION, Titin, ZINC ION
著者Rees, M, Gautel, M.
登録日2023-04-11
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8OMW
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BU of 8omw by Molmil
Crystal structure of the titin domain Fn3-20
分子名称: CHLORIDE ION, Titin
著者Rees, M, Gautel, M.
登録日2023-03-31
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8ORL
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BU of 8orl by Molmil
Crystal structure of the S23226G missense variant of titin domain Fn3-56
分子名称: CHLORIDE ION, Titin, ZINC ION
著者Rees, M, Gautel, M.
登録日2023-04-14
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8OS3
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BU of 8os3 by Molmil
Crystal structure of the titin domain Fn3-11
分子名称: Titin
著者Nikoopour, R, Rees, M, Gautel, M.
登録日2023-04-17
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8OTY
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BU of 8oty by Molmil
Crystal structure of the titin domain Fn3-90
分子名称: Titin
著者Nikoopour, R, Rees, M, Gautel, M.
登録日2023-04-21
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8OT5
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BU of 8ot5 by Molmil
Crystal structure of the titin domain Fn3-85
分子名称: CHLORIDE ION, SODIUM ION, Titin
著者Nikoopour, R, Rees, M, Gautel, M.
登録日2023-04-20
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
6SRR
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BU of 6srr by Molmil
Crystal structure of human SHIP2 catalytic domain
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
著者Whitfield, H, Brearley, C.A, Hemmings, A.M.
登録日2019-09-05
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Allosteric Site on SHIP2 Identified Through Fluorescent Ligand Screening and Crystallography: A Potential New Target for Intervention.
J.Med.Chem., 64, 2021
6SQU
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BU of 6squ by Molmil
Crystal structure of human SHIP2 catalytic domain in complex with 1,2,4 Dimer
分子名称: 5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
著者Whitfield, H, Brearley, C.A, Hemmings, A.M.
登録日2019-09-04
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Allosteric Site on SHIP2 Identified Through Fluorescent Ligand Screening and Crystallography: A Potential New Target for Intervention.
J.Med.Chem., 64, 2021

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件を2024-08-21に公開中

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