1HT9
 
 | | DOMAIN SWAPPING EF-HANDS | | Descriptor: | CALBINDIN D9K, CALCIUM ION | | Authors: | Hakansson, M, Svensson, A.L, Fast, J, Linse, S. | | Deposit date: | 2000-12-29 | | Release date: | 2001-05-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | An extended hydrophobic core induces EF-hand swapping.
Protein Sci., 10, 2001
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6EOG
 | | Human galectin-3c in complex with a galactose derivative | | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3, ... | | Authors: | Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T. | | Deposit date: | 2017-10-09 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Monosaccharide Derivatives with Low-Nanomolar Lectin Affinity and High Selectivity Based on Combined Fluorine-Amide, Phenyl-Arginine, Sulfur-pi , and Halogen Bond Interactions.
ChemMedChem, 13, 2018
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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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7R4W
 | | Single stranded DNA binding protein SSB M5 from Fervidobacterium gondwanense | | Descriptor: | ACETIC ACID, PHOSPHATE ION, Single-stranded DNA-binding protein | | Authors: | Hakansson, M, Svensson, L.A, Werbowy, O, Al-Karadaghi, S, Kaczorowski, T, Kaczorowska, A.K, Dorawa, S. | | Deposit date: | 2022-02-09 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular characterization of a single stranded DNA binding protein from Fervidobacterium gondwanense
To Be Published
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7YXU
 | | Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB. | | Descriptor: | MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ... | | Authors: | Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L. | | Deposit date: | 2022-02-16 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies.
Mol.Cancer Ther., 22, 2023
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6QHN
 | | Metagenome-derived salicylaldehyde dehydrogenase from alpine soil in complex with protocatechuic acid | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, GLYCEROL, SALICYLALDEHYDE DEHYDROGENASE | | Authors: | Hakansson, M, Svensson, L.A, Shamsudeen, D.U, Allen, C.C.R. | | Deposit date: | 2019-01-17 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Expression, purification and crystallization of a novel metagenome-derived salicylaldehyde dehydrogenase from Alpine soil.
Acta Crystallogr.,Sect.F, 78, 2022
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7OLY
 | | Structure of activin A in complex with an ActRIIB-Alk4 fusion reveal insight into activin receptor interactions | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-1B, ... | | Authors: | Hakansson, M, Rose, N.C, Castonguay, R, Logan, D.T, Krishnan, L. | | Deposit date: | 2021-05-20 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.265 Å) | | Cite: | Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors.
Iscience, 25, 2022
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8PBO
 | | Deep interactome learning for generative drug design | | Descriptor: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Hakansson, M, Focht, D, Atz, K, Schneider, G. | | Deposit date: | 2023-06-09 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
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7BGS
 | | Archeal holliday junction resolvase from Thermus thermophilus phage 15-6 | | Descriptor: | Holliday junction resolvase, SULFATE ION | | Authors: | Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S. | | Deposit date: | 2021-01-08 | | Release date: | 2022-01-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6.
Acta Crystallogr D Struct Biol, 78, 2022
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7BNX
 | | Archeal holliday junction resolvase from Thermus thermophilus phage 15-6 | | Descriptor: | Holliday junction resolvase, SULFATE ION | | Authors: | Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S. | | Deposit date: | 2021-01-22 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6.
Acta Crystallogr D Struct Biol, 78, 2022
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5MPR
 | | Single Amino Acid Variant of Human Mitochondrial Branched Chain Amino Acid Aminotransferase 2 | | Descriptor: | 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ... | | Authors: | Hakansson, M, Walse, B, Nilsson, C, Anderson, L.C. | | Deposit date: | 2016-12-18 | | Release date: | 2017-07-19 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Intact Protein Analysis at 21 Tesla and X-Ray Crystallography Define Structural Differences in Single Amino Acid Variants of Human Mitochondrial Branched-Chain Amino Acid Aminotransferase 2 (BCAT2).
J. Am. Soc. Mass Spectrom., 28, 2017
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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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8OZ3
 | | Crystal structure of scFv ATOR 1017 bound to human 4-1BB | | Descriptor: | Single chain Fv, Tumor necrosis factor receptor superfamily member 9 | | Authors: | Hakansson, M, Von Schantz, L, Rose, N. | | Deposit date: | 2023-05-08 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1.
Cancer Immunol.Immunother., 72, 2023
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1I4H
 | | Crystal structure of Zn2+ soaked Staphylococcal enterotoxin A mutant H187A | | Descriptor: | ENTEROTOXIN TYPE A, ZINC ION | | Authors: | Hakansson, M, Antonsson, P, Bjork, P, Svensson, L.A. | | Deposit date: | 2001-02-21 | | Release date: | 2001-02-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Cooperative zinc binding in a staphylococcal enterotoxin A mutant mimics the SEA-MHC class II interaction
J.Biol.Inorg.Chem., 6, 2001
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1I4G
 | | Crystal structure of Staphylococcal enterotoxin A mutant H187A with reduced Zn2+ affinity | | Descriptor: | ENTEROTOXIN TYPE A, SULFATE ION, ZINC ION | | Authors: | Hakansson, M, Antonsson, P, Bjork, P, Svensson, L.A. | | Deposit date: | 2001-02-21 | | Release date: | 2001-02-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cooperative zinc binding in a staphylococcal enterotoxin A mutant mimics the SEA-MHC class II interaction
J.Biol.Inorg.Chem., 6, 2001
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7R1O
 | | p62-ZZ domain of the human sequestosome in complex with dusquetide | | Descriptor: | Dusquetide, Sequestosome-1, ZINC ION | | Authors: | Hakansson, M, Hansson, M, Logan, D.T, Rozek, A, Donini, O. | | Deposit date: | 2022-02-03 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022
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6Y78
 | | Structure of galectin-3C in complex with lactose determined by serial crystallography using a silicon nitride membrane support | | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T. | | Deposit date: | 2020-02-28 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
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6ET4
 | | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S. | | Deposit date: | 2017-10-25 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage.
Nat Commun, 9, 2018
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6F6Y
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6GK0
 | | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ... | | Authors: | Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S. | | Deposit date: | 2018-05-17 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology.
J.Biol.Chem., 295, 2020
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6EOL
 | | Human galectin-3c in complex with a galactose derivative | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | | Authors: | Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T. | | Deposit date: | 2017-10-09 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Monosaccharide Derivatives with Low-Nanomolar Lectin Affinity and High Selectivity Based on Combined Fluorine-Amide, Phenyl-Arginine, Sulfur-pi , and Halogen Bond Interactions.
ChemMedChem, 13, 2018
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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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6SU5
 | | Ph2119 endolysin from Thermus scotoductus MAT2119 bacteriophage Ph2119 | | Descriptor: | GLYCEROL, Lysozyme, PHOSPHATE ION, ... | | Authors: | Hakansson, M, Al-Karadaghi, S, Plotka, M, Kaczorowska, A.K, Kaczorowski, T. | | Deposit date: | 2019-09-13 | | Release date: | 2020-09-30 | | Last modified: | 2021-04-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Molecular Characterization of a Novel Lytic Enzyme LysC from Clostridium intestinale URNW and Its Antibacterial Activity Mediated by Positively Charged N -Terminal Extension.
Int J Mol Sci, 21, 2020
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6SSC
 | | N-acetylmuramoyl-L-alanine amidase LysC from Clostridium intestinale URNW | | Descriptor: | GLYCEROL, N-acetylmuramoyl-L-alanine amidase, PHOSPHATE ION, ... | | Authors: | Hakansson, M, Al-Karadaghi, S, Kovacic, R, Plotka, M, Kaczorowska, A.K, Kaczorowski, T. | | Deposit date: | 2019-09-06 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Molecular Characterization of a Novel Lytic Enzyme LysC from Clostridium intestinale URNW and Its Antibacterial Activity Mediated by Positively Charged N -Terminal Extension.
Int J Mol Sci, 21, 2020
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6SRT
 | | Endolysine N-acetylmuramoyl-L-alanine amidase LysCS from Clostridium intestinale URNW | | Descriptor: | GLYCEROL, N-acetylmuramoyl-L-alanine amidase, PHOSPHATE ION, ... | | Authors: | Hakansson, M, Al-Karadaghi, S, Plotka, M, Kaczorowska, A.-K, Kaczorowski, T. | | Deposit date: | 2019-09-06 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Structure and function of endolysines LysCS, LysC from Clostridium intestinale
To Be Published
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