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2XG3
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BU of 2xg3 by Molmil
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:2020-07-29
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
2N1A
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BU of 2n1a by Molmil
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:2019-03-06
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
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
Descriptor: Thrombin light chain
Authors:Diehl, C.
Deposit date:2022-12-07
Release date:2023-09-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs.
Nat Commun, 14, 2023
7K1Q
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BU of 7k1q by Molmil
Solution structure of lantibiotic from Paenibacillus sp.
Descriptor: Lantibiotic CMB001
Authors:Karczewski, J, Diehl, C.
Deposit date:2020-09-08
Release date:2020-11-25
Last modified:2020-12-30
Method:SOLUTION NMR
Cite:Isolation, Characterization and Structure Elucidation of a Novel Lantibiotic From Paenibacillus sp.
Front Microbiol, 11, 2020
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
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
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
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
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
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
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
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
8CEI
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BU of 8cei by Molmil
Succinyl-CoA Reductase from Clostridium kluyveri (SucD)
Descriptor: Succinate-semialdehyde dehydrogenase (acetylating)
Authors:Pfister, P, Diehl, C, Erb, T.J.
Deposit date:2023-02-02
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enhancing the Substrate Specificity of Clostridium Succinyl-CoA Reductase for Synthetic Biology and Biocatalysis.
Biochemistry, 62, 2023
8CEJ
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BU of 8cej by Molmil
Succinyl-CoA Reductase from Clostridium kluyveri (SucD) with Mesaconyl-C1-CoA
Descriptor: (2E)-2-METHYLBUT-2-ENEDIOIC ACID, Mesaconyl Coenzme A, Succinate-semialdehyde dehydrogenase (acetylating)
Authors:Pfister, P, Diehl, C, Erb, T.J.
Deposit date:2023-02-02
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhancing the Substrate Specificity of Clostridium Succinyl-CoA Reductase for Synthetic Biology and Biocatalysis.
Biochemistry, 62, 2023
8CEK
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BU of 8cek by Molmil
Succinyl-CoA Reductase from Clostridium kluyveri (SucD) with NADPH
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Succinate-semialdehyde dehydrogenase (acetylating)
Authors:Pfister, P, Diehl, C, Erb, T.J.
Deposit date:2023-02-02
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enhancing the Substrate Specificity of Clostridium Succinyl-CoA Reductase for Synthetic Biology and Biocatalysis.
Biochemistry, 62, 2023
6YBQ
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BU of 6ybq by Molmil
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
6YBP
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BU of 6ybp by Molmil
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
5A7C
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BU of 5a7c by Molmil
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
8CIW
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BU of 8ciw by Molmil
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
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
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
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
7ALS
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BU of 7als by Molmil
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
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
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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