5I3A
 
 | | Crystal Structure of tyrosinase from Bacillus megaterium with configuration A of hydroquinone inhibitor in the active site | | Descriptor: | Tyrosinase, ZINC ION, benzene-1,4-diol | | Authors: | Kanteev, M, Deri, B, Adir, N, Fishman, A. | | Deposit date: | 2016-02-10 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The unravelling of the complex pattern of tyrosinase inhibition.
Sci Rep, 6, 2016
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5I3B
 | | Crystal Structure of tyrosinase from Bacillus megaterium with configuration B of hydroquinone inhibitor in the active site | | Descriptor: | Tyrosinase, ZINC ION, benzene-1,4-diol | | Authors: | Kanteev, M, Deri, B, Adir, N, Fishman, A. | | Deposit date: | 2016-02-10 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The unravelling of the complex pattern of tyrosinase inhibition.
Sci Rep, 6, 2016
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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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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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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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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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4YYS
 | | Ficin B crystal form II | | Descriptor: | Ficin isoform B, PHOSPHATE ION | | Authors: | Azarkan, M, Baeyens-Volant, D, Loris, R. | | Deposit date: | 2015-03-24 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
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4YYQ
 | | Ficin A | | Descriptor: | Ficin isoform A | | Authors: | Azarkan, M, Baeyens-Volant, D, Loris, R. | | Deposit date: | 2015-03-24 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.594 Å) | | Cite: | Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
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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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3D7A
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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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7VFR
 | | GltA N83K mutant from Bifidobacterium infantis JCM 1222 complexed with lacto-N-tetraose | | Descriptor: | Extracellular solute-binding protein, family 1, SULFATE ION, ... | | Authors: | Sato, M, Sakanaka, M, Katayama, T, Fushinobu, S. | | Deposit date: | 2021-09-13 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Short stretch sequence of a milk oligosaccharide transporter represents the phenotypic selection trajectory in infant gut microbiome
To Be Published
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7VFQ
 | | Wild type GltA from Bifidobacterium infantis JCM 1222 complexed with lacto-N-tetraose | | Descriptor: | Extracellular solute-binding protein, family 1, SULFATE ION, ... | | Authors: | Sato, M, Sakanaka, M, Katayama, T, Fushinobu, S. | | Deposit date: | 2021-09-13 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Short stretch sequence of a milk oligosaccharide transporter represents the phenotypic selection trajectory in infant gut microbiome
To Be Published
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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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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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6DU7
 | | Glutathione reductase from Streptococcus pneumoniae | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, THIOCYANATE ION | | Authors: | Maher, M.J, Sikanyika, M. | | Deposit date: | 2018-06-19 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | The structure and activity of the glutathione reductase from Streptococcus pneumoniae.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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4X71
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant A269T | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Kanteev, M, Dror, A, Gihaz, S, Shahar, A, Fishman, A. | | Deposit date: | 2014-12-09 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
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4X7B
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant H86Y/A269T | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Kanteev, M, Dror, A, Gihaz, S, Fishman, A. | | Deposit date: | 2014-12-09 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
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4X6U
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Kanteev, M, Dror, A, Gihaz, S, Fishman, A. | | Deposit date: | 2014-12-09 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
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4X85
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant H86Y/A269T/R374W | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Kanteev, M, Dror, A, Gihaz, S, Fishman, A. | | Deposit date: | 2014-12-10 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.192 Å) | | Cite: | Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
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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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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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6F6Y
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4Y1Q
 | | Crystal Structure of HasA mutant Y75A monomer from Yersinia pseudotuberculosis | | Descriptor: | Extracellular heme acquisition hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nagano, S, Hino, T, Kanadani, M, Ozaki, S, Sato, T. | | Deposit date: | 2015-02-08 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The crystal structure of heme acquisition system A from Yersinia pseudotuberculosis (HasAypt): Roles of the axial ligand Tyr75 and two distal arginines in heme binding
J.Inorg.Biochem., 151, 2015
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4Y4S
 | | Crystal Structure of Y75A HasA dimer from Yersinia pseudotuberculosis | | Descriptor: | Extracellular heme acquisition hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Hino, T, Kanadani, M, Muroki, T, Ishimaru, Y, Wada, Y, Sato, T, Ozaki, S. | | Deposit date: | 2015-02-11 | | Release date: | 2015-08-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of heme acquisition system A from Yersinia pseudotuberculosis (HasAypt): Roles of the axial ligand Tyr75 and two distal arginines in heme binding
J.Inorg.Biochem., 151, 2015
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