2XG3
 
 | | Human galectin-3 in complex with a benzamido-N-acetyllactoseamine inhibitor | | Descriptor: | BENZAMIDE, CHLORIDE ION, Galectin-3, ... | | Authors: | Diehl, C, Engstrom, O, Delaine, T, Hakansson, M, Genheden, S, Modig, K, Leffler, H, Ryde, U, Nilsson, U, Akke, M. | | Deposit date: | 2010-05-30 | | Release date: | 2010-10-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Protein flexibility and conformational entropy in ligand design targeting the carbohydrate recognition domain of galectin-3.
J. Am. Chem. Soc., 132, 2010
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2N1A
 | | Docked structure between SUMO1 and ZZ-domain from CBP | | Descriptor: | CREB-binding protein, Small ubiquitin-related modifier 1, ZINC ION | | Authors: | Diehl, C. | | Deposit date: | 2015-03-26 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 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
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8BWW
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7K1Q
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3ZSL
 | | Crystal structure of Apo Human Galectin-3 CRD at 1.08 angstrom resolution, at cryogenic temperature | | Descriptor: | GALECTIN-3 | | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | | Deposit date: | 2011-06-28 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | 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
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3ZSM
 | | Crystal structure of Apo Human Galectin-3 CRD at 1.25 angstrom resolution, at room temperature | | Descriptor: | GALECTIN-3 | | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | | Deposit date: | 2011-06-28 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | 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
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8OJP
 | | Human galectin 1 in complex with inhibitor | | Descriptor: | (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 | | Authors: | Hakansson, M, Diehl, C, Nilsson, U.J, Zetterberg, F.R, Peterson, K. | | Deposit date: | 2023-03-24 | | Release date: | 2024-06-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of Selective and Orally Available Galectin-1 Inhibitors.
J.Med.Chem., 66, 2023
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8R74
 | | Galectin-1 in complex with thiogalactoside derivative | | Descriptor: | (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 | | Authors: | Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U. | | Deposit date: | 2023-11-23 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer.
J.Med.Chem., 67, 2024
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3ZSJ
 | | Crystal structure of Human Galectin-3 CRD in complex with Lactose at 0.86 angstrom resolution | | Descriptor: | GALECTIN-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | | Deposit date: | 2011-06-28 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.86 Å) | | Cite: | 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
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3ZSK
 | | Crystal structure of Human Galectin-3 CRD with glycerol bound at 0.90 angstrom resolution | | Descriptor: | GALECTIN-3, GLYCEROL | | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | | Deposit date: | 2011-06-28 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | 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
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8CEI
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8CEJ
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8CEK
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6YBP
 | | Propionyl-CoA carboxylase of Methylorubrum extorquens with bound CoA | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | | Authors: | Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J. | | Deposit date: | 2020-03-17 | | Release date: | 2020-10-28 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation
Nat Catal, 2021
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6YBQ
 | | Engineered glycolyl-CoA carboxylase (quintuple mutant) with bound CoA | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | | Authors: | Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J. | | Deposit date: | 2020-03-17 | | Release date: | 2020-10-28 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (1.96 Å) | | Cite: | A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation
Nat Catal, 2021
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8CIW
 | | Methylsuccinyl-CoA dehydrogenase from Pseudomonas migulae with bound FAD and (2S)-methylsuccinyl-CoA | | Descriptor: | (2S)-Methylsuccinyl-CoA, (2S)-methylsuccinyl-CoA dehydrogenase, CITRATE ANION, ... | | Authors: | Zarzycki, J, McLean, R, Erb, T.J. | | Deposit date: | 2023-02-10 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Exploring alternative pathways for the in vitro establishment of the HOPAC cycle for synthetic CO 2 fixation.
Sci Adv, 9, 2023
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7AEN
 | | Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside | | Descriptor: | CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ... | | Authors: | Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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
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7ALS
 | | Alpha and beta Lactose isomer structure of Galectin 8, N-terminal domain | | Descriptor: | CHLORIDE ION, Galectin-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Hakansson, M, Walse, B, Diehl, C, Kovacic, R. | | Deposit date: | 2020-10-07 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Alpha and beta Lactose isomer structure of Galectin 8, N-terminal domain
To Be Published
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5A7C
 | | Crystal structure of the second bromodomain of human BRD3 in complex with compound | | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE | | Authors: | Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B. | | Deposit date: | 2015-07-03 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins.
Cancer Res., 76, 2016
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8CM8
 | | Galectin-8 N-terminal carbohydrate recognition domain in complex with 4-(bromophenyl)phthalazinone D-galactal ligand | | Descriptor: | 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 | | Authors: | Van Klaveren, S, Hakansson, M, Diehl, C, Nilsson, N.J. | | Deposit date: | 2023-02-17 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Halogenated Galactal-Phenylphthalazinone Hybrids as Highly Selective Galectin-8N Ligands
To Be Published
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