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5I3A
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BU of 5i3a by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with configuration A of hydroquinone inhibitor in the active site
分子名称: Tyrosinase, ZINC ION, benzene-1,4-diol
著者Kanteev, M, Deri, B, Adir, N, Fishman, A.
登録日2016-02-10
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The unravelling of the complex pattern of tyrosinase inhibition.
Sci Rep, 6, 2016
5I3B
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BU of 5i3b by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with configuration B of hydroquinone inhibitor in the active site
分子名称: Tyrosinase, ZINC ION, benzene-1,4-diol
著者Kanteev, M, Deri, B, Adir, N, Fishman, A.
登録日2016-02-10
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The unravelling of the complex pattern of tyrosinase inhibition.
Sci Rep, 6, 2016
7R1O
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BU of 7r1o by Molmil
p62-ZZ domain of the human sequestosome in complex with dusquetide
分子名称: Dusquetide, Sequestosome-1, ZINC ION
著者Hakansson, M, Hansson, M, Logan, D.T, Rozek, A, Donini, O.
登録日2022-02-03
公開日2022-05-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022
8PBO
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BU of 8pbo by Molmil
Deep interactome learning for generative drug design
分子名称: 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, ...
著者Hakansson, M, Focht, D, Atz, K, Schneider, G.
登録日2023-06-09
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
6QHN
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BU of 6qhn by Molmil
Metagenome-derived salicylaldehyde dehydrogenase from alpine soil in complex with protocatechuic acid
分子名称: 3,4-DIHYDROXYBENZOIC ACID, GLYCEROL, SALICYLALDEHYDE DEHYDROGENASE
著者Hakansson, M, Svensson, L.A, Shamsudeen, D.U, Allen, C.C.R.
登録日2019-01-17
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Expression, purification and crystallization of a novel metagenome-derived salicylaldehyde dehydrogenase from Alpine soil.
Acta Crystallogr.,Sect.F, 78, 2022
7YXU
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BU of 7yxu by Molmil
Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB.
分子名称: MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ...
著者Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L.
登録日2022-02-16
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献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
4YYS
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BU of 4yys by Molmil
Ficin B crystal form II
分子名称: Ficin isoform B, PHOSPHATE ION
著者Azarkan, M, Baeyens-Volant, D, Loris, R.
登録日2015-03-24
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
4YYQ
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BU of 4yyq by Molmil
Ficin A
分子名称: Ficin isoform A
著者Azarkan, M, Baeyens-Volant, D, Loris, R.
登録日2015-03-24
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.594 Å)
主引用文献Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
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
3D7A
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BU of 3d7a by Molmil
Crystal structure of DUF54 family protein PH1010 from hyperthermophilic archaea Pyrococcus horikoshii OT3
分子名称: UPF0201 protein PH1010
著者Shirokane, M, Miyazono, K.I, Sawano, Y, Tanokura, M.
登録日2008-05-20
公開日2008-12-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the DUF54 family protein PH1010 from hyperthermophilic archaea Pyrococcus horikoshii OT3.
Proteins, 74, 2008
6GK0
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BU of 6gk0 by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ...
著者Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S.
登録日2018-05-17
公開日2019-11-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology.
J.Biol.Chem., 295, 2020
7VFR
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BU of 7vfr by Molmil
GltA N83K mutant from Bifidobacterium infantis JCM 1222 complexed with lacto-N-tetraose
分子名称: Extracellular solute-binding protein, family 1, SULFATE ION, ...
著者Sato, M, Sakanaka, M, Katayama, T, Fushinobu, S.
登録日2021-09-13
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Short stretch sequence of a milk oligosaccharide transporter represents the phenotypic selection trajectory in infant gut microbiome
To Be Published
7VFQ
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BU of 7vfq by Molmil
Wild type GltA from Bifidobacterium infantis JCM 1222 complexed with lacto-N-tetraose
分子名称: Extracellular solute-binding protein, family 1, SULFATE ION, ...
著者Sato, M, Sakanaka, M, Katayama, T, Fushinobu, S.
登録日2021-09-13
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Short stretch sequence of a milk oligosaccharide transporter represents the phenotypic selection trajectory in infant gut microbiome
To Be Published
5MPR
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BU of 5mpr by Molmil
Single Amino Acid Variant of Human Mitochondrial Branched Chain Amino Acid Aminotransferase 2
分子名称: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ...
著者Hakansson, M, Walse, B, Nilsson, C, Anderson, L.C.
登録日2016-12-18
公開日2017-07-19
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
7R4W
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BU of 7r4w by Molmil
Single stranded DNA binding protein SSB M5 from Fervidobacterium gondwanense
分子名称: ACETIC ACID, PHOSPHATE ION, Single-stranded DNA-binding protein
著者Hakansson, M, Svensson, L.A, Werbowy, O, Al-Karadaghi, S, Kaczorowski, T, Kaczorowska, A.K, Dorawa, S.
登録日2022-02-09
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular characterization of a single stranded DNA binding protein from Fervidobacterium gondwanense
To Be Published
6DU7
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BU of 6du7 by Molmil
Glutathione reductase from Streptococcus pneumoniae
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, THIOCYANATE ION
著者Maher, M.J, Sikanyika, M.
登録日2018-06-19
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献The structure and activity of the glutathione reductase from Streptococcus pneumoniae.
Acta Crystallogr F Struct Biol Commun, 75, 2019
4X71
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BU of 4x71 by Molmil
Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant A269T
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Kanteev, M, Dror, A, Gihaz, S, Shahar, A, Fishman, A.
登録日2014-12-09
公開日2015-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
4X7B
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BU of 4x7b by Molmil
Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant H86Y/A269T
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Kanteev, M, Dror, A, Gihaz, S, Fishman, A.
登録日2014-12-09
公開日2015-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
4X6U
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BU of 4x6u by Molmil
Crystal Structure of lipase from Geobacillus stearothermophilus T6
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Kanteev, M, Dror, A, Gihaz, S, Fishman, A.
登録日2014-12-09
公開日2015-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
4X85
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BU of 4x85 by Molmil
Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant H86Y/A269T/R374W
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Kanteev, M, Dror, A, Gihaz, S, Fishman, A.
登録日2014-12-10
公開日2015-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
6EOG
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BU of 6eog by Molmil
Human galectin-3c in complex with a galactose derivative
分子名称: (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, ...
著者Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T.
登録日2017-10-09
公開日2018-08-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
6EOL
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BU of 6eol by Molmil
Human galectin-3c in complex with a galactose derivative
分子名称: (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
著者Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T.
登録日2017-10-09
公開日2018-08-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
6F6Y
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BU of 6f6y by Molmil
Crystal structure of galectin-3 CRD in complex with galactopentaose
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose
著者Hakansson, M, Andersen, M.C.F, Clausen, M.H, Logan, D.T.
登録日2017-12-06
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Beta-(1-4)-d-galactans: synthesis and binding interactions with galectin-3
To Be Published
4Y1Q
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BU of 4y1q by Molmil
Crystal Structure of HasA mutant Y75A monomer from Yersinia pseudotuberculosis
分子名称: Extracellular heme acquisition hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE
著者Nagano, S, Hino, T, Kanadani, M, Ozaki, S, Sato, T.
登録日2015-02-08
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
4Y4S
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BU of 4y4s by Molmil
Crystal Structure of Y75A HasA dimer from Yersinia pseudotuberculosis
分子名称: Extracellular heme acquisition hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Hino, T, Kanadani, M, Muroki, T, Ishimaru, Y, Wada, Y, Sato, T, Ozaki, S.
登録日2015-02-11
公開日2015-08-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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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