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PDB: 17 件
2XG3
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BU of 2xg3 by Molmil
Human galectin-3 in complex with a benzamido-N-acetyllactoseamine inhibitor
分子名称: BENZAMIDE, CHLORIDE ION, Galectin-3, ...
著者Diehl, C, Engstrom, O, Delaine, T, Hakansson, M, Genheden, S, Modig, K, Leffler, H, Ryde, U, Nilsson, U, Akke, M.
登録日2010-05-30
公開日2010-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Protein flexibility and conformational entropy in ligand design targeting the carbohydrate recognition domain of galectin-3.
J. Am. Chem. Soc., 132, 2010
2N1A
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BU of 2n1a by Molmil
Docked structure between SUMO1 and ZZ-domain from CBP
分子名称: CREB-binding protein, Small ubiquitin-related modifier 1, ZINC ION
著者Diehl, C.
登録日2015-03-26
公開日2016-05-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Analysis of a Complex between Small Ubiquitin-like Modifier 1 (SUMO1) and the ZZ Domain of CREB-binding Protein (CBP/p300) Reveals a New Interaction Surface on SUMO.
J.Biol.Chem., 291, 2016
8BWW
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BU of 8bww by Molmil
Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs
分子名称: Thrombin light chain
著者Diehl, C.
登録日2022-12-07
公開日2023-09-06
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs.
Nat Commun, 14, 2023
3ZSL
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BU of 3zsl by Molmil
Crystal structure of Apo Human Galectin-3 CRD at 1.08 angstrom resolution, at cryogenic temperature
分子名称: GALECTIN-3
著者Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T.
登録日2011-06-28
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
3ZSM
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BU of 3zsm by Molmil
Crystal structure of Apo Human Galectin-3 CRD at 1.25 angstrom resolution, at room temperature
分子名称: GALECTIN-3
著者Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T.
登録日2011-06-28
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
8OJP
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BU of 8ojp by Molmil
Human galectin 1 in complex with inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, GLYCEROL, Galectin-1
著者Hakansson, M, Diehl, C, Nilsson, U.J, Zetterberg, F.R, Peterson, K.
登録日2023-03-24
公開日2024-06-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of Selective and Orally Available Galectin-1 Inhibitors.
J.Med.Chem., 66, 2023
8R74
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Galectin-1 in complex with thiogalactoside derivative
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1
著者Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U.
登録日2023-11-23
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer.
J.Med.Chem., 67, 2024
7K1Q
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BU of 7k1q by Molmil
Solution structure of lantibiotic from Paenibacillus sp.
分子名称: Lantibiotic CMB001
著者Karczewski, J, Diehl, C.
登録日2020-09-08
公開日2020-11-25
最終更新日2020-12-30
実験手法SOLUTION NMR
主引用文献Isolation, Characterization and Structure Elucidation of a Novel Lantibiotic From Paenibacillus sp.
Front Microbiol, 11, 2020
3ZSJ
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BU of 3zsj by Molmil
Crystal structure of Human Galectin-3 CRD in complex with Lactose at 0.86 angstrom resolution
分子名称: GALECTIN-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T.
登録日2011-06-28
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
3ZSK
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BU of 3zsk by Molmil
Crystal structure of Human Galectin-3 CRD with glycerol bound at 0.90 angstrom resolution
分子名称: GALECTIN-3, GLYCEROL
著者Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T.
登録日2011-06-28
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
7ALS
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BU of 7als by Molmil
Alpha and beta Lactose isomer structure of Galectin 8, N-terminal domain
分子名称: CHLORIDE ION, Galectin-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Hakansson, M, Walse, B, Diehl, C, Kovacic, R.
登録日2020-10-07
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Alpha and beta Lactose isomer structure of Galectin 8, N-terminal domain
To Be Published
8CEI
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BU of 8cei by Molmil
Succinyl-CoA Reductase from Clostridium kluyveri (SucD)
分子名称: Succinate-semialdehyde dehydrogenase (acetylating)
著者Pfister, P, Diehl, C, Erb, T.J.
登録日2023-02-02
公開日2023-05-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enhancing the Substrate Specificity of Clostridium Succinyl-CoA Reductase for Synthetic Biology and Biocatalysis.
Biochemistry, 62, 2023
8CEJ
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Succinyl-CoA Reductase from Clostridium kluyveri (SucD) with Mesaconyl-C1-CoA
分子名称: (2E)-2-METHYLBUT-2-ENEDIOIC ACID, Mesaconyl Coenzme A, Succinate-semialdehyde dehydrogenase (acetylating)
著者Pfister, P, Diehl, C, Erb, T.J.
登録日2023-02-02
公開日2023-05-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Enhancing the Substrate Specificity of Clostridium Succinyl-CoA Reductase for Synthetic Biology and Biocatalysis.
Biochemistry, 62, 2023
8CEK
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Succinyl-CoA Reductase from Clostridium kluyveri (SucD) with NADPH
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Succinate-semialdehyde dehydrogenase (acetylating)
著者Pfister, P, Diehl, C, Erb, T.J.
登録日2023-02-02
公開日2023-05-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Enhancing the Substrate Specificity of Clostridium Succinyl-CoA Reductase for Synthetic Biology and Biocatalysis.
Biochemistry, 62, 2023
7AEN
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BU of 7aen by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside
分子名称: CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ...
著者Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C.
登録日2020-09-17
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain
Acs Med.Chem.Lett., 12, 2021
5A7C
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BU of 5a7c by Molmil
Crystal structure of the second bromodomain of human BRD3 in complex with compound
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE
著者Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B.
登録日2015-07-03
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins.
Cancer Res., 76, 2016
8CM8
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BU of 8cm8 by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with 4-(bromophenyl)phthalazinone D-galactal ligand
分子名称: 4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one, CHLORIDE ION, Galectin-8
著者Van Klaveren, S, Hakansson, M, Diehl, C, Nilsson, N.J.
登録日2023-02-17
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Halogenated Galactal-Phenylphthalazinone Hybrids as Highly Selective Galectin-8N Ligands
To Be Published

226707

件を2024-10-30に公開中

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