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8P39
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BU of 8p39 by Molmil
Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, dGTP/ATP-bound state
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, ...
著者Bimai, O, Banerjee, I, Sjoberg, B.M, Logan, D.T.
登録日2023-05-17
公開日2023-09-13
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Nucleotide binding to the ATP-cone in anaerobic ribonucleotide reductases allosterically regulates activity by modulating substrate binding.
Elife, 12, 2024
8P2S
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BU of 8p2s by Molmil
Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, ATP/dTTP/GTP-bound state
分子名称: Anaerobic ribonucleoside-triphosphate reductase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Bimai, O, Banerjee, I, Sjoberg, B.M, Logan, D.T.
登録日2023-05-16
公開日2023-09-13
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Nucleotide binding to the ATP-cone in anaerobic ribonucleotide reductases allosterically regulates activity by modulating substrate binding.
Elife, 12, 2024
8PF9
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BU of 8pf9 by Molmil
Galectin-3C in complex with a triazolesulfane derivative
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[oxidanyl(phenyl)-$l^{3}-sulfanyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ...
著者Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T.
登録日2023-06-15
公開日2023-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
8PFF
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BU of 8pff by Molmil
Galectin-3C in complex with a triazolesulfone derivative
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ...
著者Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T.
登録日2023-06-15
公開日2023-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
2J5A
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BU of 2j5a by Molmil
Folding of S6 structures with divergent amino-acid composition: pathway flexibility within partly overlapping foldons
分子名称: 30S RIBOSOMAL PROTEIN S6, SODIUM ION
著者Hansson, S, Olofsson, L, Hedberg, L, Oliveberg, M, Logan, D.T.
登録日2006-09-13
公開日2006-10-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Folding of S6 Structures with Divergent Amino Acid Composition: Pathway Flexibility within Partly Overlapping Foldons.
J.Mol.Biol., 365, 2007
1TDQ
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BU of 1tdq by Molmil
Structural basis for the interactions between tenascins and the C-type lectin domains from lecticans: evidence for a cross-linking role for tenascins
分子名称: Aggrecan core protein, CALCIUM ION, Tenascin-R
著者Lundell, A, Olin, A.I, Moergelin, M, al-Karadaghi, S, Aspberg, A, Logan, D.T.
登録日2004-05-24
公開日2004-08-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for interactions between tenascins and lectican C-type lectin domains: evidence for a crosslinking role for tenascins
Structure, 12, 2004
3O0N
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BU of 3o0n by Molmil
Thermotoga maritima Ribonucleotide Reductase, NrdJ, in complex with dTTP and Adenosylcobalamin
分子名称: 5'-DEOXYADENOSINE, CHLORIDE ION, COBALAMIN, ...
著者Larsson, K.-M, Logan, D.T, Nordlund, P.
登録日2010-07-19
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for Adenosylcobalamin Activation in AdoCbl-Dependent Ribonucleotide Reductases.
Acs Chem.Biol., 5, 2010
3O0O
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BU of 3o0o by Molmil
Thermotoga maritima Ribonucleotide Reductase, NrdJ, in complex with dTTP, GDP and Adenosylcobalamin
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, GUANOSINE-5'-DIPHOSPHATE, ...
著者Larsson, K.-M, Logan, D.T, Nordlund, P.
登録日2010-07-19
公開日2010-07-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Adenosylcobalamin Activation in AdoCbl-Dependent Ribonucleotide Reductases.
Acs Chem.Biol., 5, 2010
6Y4C
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BU of 6y4c by Molmil
Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support
分子名称: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T.
登録日2020-02-20
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
6Y78
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BU of 6y78 by Molmil
Structure of galectin-3C in complex with lactose determined by serial crystallography using a silicon nitride membrane support
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T.
登録日2020-02-28
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
3O0Q
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BU of 3o0q by Molmil
Thermotoga maritima Ribonucleotide Reductase, NrdJ, in complex with dTTP, GDP and Adenosine
分子名称: ADENOSINE, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Larsson, K.-M, Logan, D.T, Nordlund, P.
登録日2010-07-19
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Adenosylcobalamin Activation in AdoCbl-Dependent Ribonucleotide Reductases.
Acs Chem.Biol., 5, 2010
4BWE
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BU of 4bwe by Molmil
Crystal structure of C-terminally truncated glypican-1 after controlled dehydration to 86 percent relative humidity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glypican-1
著者Awad, W, Svensson Birkedal, G, Thunnissen, M.M.G.M, Mani, K, Logan, D.T.
登録日2013-07-01
公開日2013-12-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Improvements in the order, isotropy and electron density of glypican-1 crystals by controlled dehydration.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
5M8E
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BU of 5m8e by Molmil
Crystal structure of a GH43 arabonofuranosidase from Weissella sp. strain 142
分子名称: Alpha-N-arabinofuranosidase, CALCIUM ION, GLYCEROL, ...
著者Linares-Pasten, J, Logan, D.T, Nordberg Karlsson, E.
登録日2016-10-28
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structures and functional studies of two GH43 arabinofuranosidases from Weissella sp. strain 142 and Lactobacillus brevis.
FEBS J., 284, 2017
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
4ZXO
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BU of 4zxo by Molmil
The structure of a GH26 beta-mannanase from Bacteroides ovatus, BoMan26A.
分子名称: Glycosyl hydrolase family 26, PHOSPHATE ION, POTASSIUM ION
著者Bagenholm, V, Aurelius, O, Logan, D.T, Bouraoui, H, Stalbrand, H.
登録日2015-05-20
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Galactomannan Catabolism Conferred by a Polysaccharide Utilization Locus of Bacteroides ovatus: ENZYME SYNERGY AND CRYSTAL STRUCTURE OF A beta-MANNANASE.
J. Biol. Chem., 292, 2017
5A7C
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BU of 5a7c by Molmil
Crystal structure of the second bromodomain of human BRD3 in complex with compound
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE
著者Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B.
登録日2015-07-03
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins.
Cancer Res., 76, 2016
2VT2
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BU of 2vt2 by Molmil
Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX
著者Wang, E, Bauer, M.C, Rogstam, A, Linse, S, Logan, D.T, von Wachenfeldt, C.
登録日2008-05-08
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex.
Mol. Microbiol., 69, 2008
6RZH
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BU of 6rzh by Molmil
Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.947 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6SF4
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BU of 6sf4 by Molmil
Apo form of the ribonucleotide reductase NrdB protein from Leeuwenhoekiella blandensis
分子名称: Ribonucleoside-diphosphate reductase, beta subunit 1
著者Hasan, M, Rozman Grinberg, I, Sjoberg, B.M, Logan, D.T.
登録日2019-07-31
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Class Id ribonucleotide reductase utilizes a Mn2(IV,III) cofactor and undergoes large conformational changes on metal loading.
J.Biol.Inorg.Chem., 24, 2019
6SNU
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BU of 6snu by Molmil
Crystal structure of the W60C mutant of the (S)-selective transaminase from Chromobacterium violaceum
分子名称: 1,2-ETHANEDIOL, Aspartate aminotransferase family protein, PYRIDOXAL-5'-PHOSPHATE
著者Ruggieri, F, Gustafsson, C, Kimbung, R.Y, Walse, B, Logan, D.T, Berglund, P.
登録日2019-08-27
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures Combined with Molecular Dynamics Reveal Altered Flow of Water in the Active Site of W60C Chromobacterium violaceum omega-transaminase
Not Published
6T9D
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BU of 6t9d by Molmil
Crystal structure of a bispecific DutaFab in complex with human VEGF121
分子名称: VP mat DutaFab VH chain, VP mat DutaFab VL chain, Vascular endothelial growth factor A
著者Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H.
登録日2019-10-28
公開日2020-12-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.905 Å)
主引用文献DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously.
Nat Commun, 12, 2021
6TF7
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BU of 6tf7 by Molmil
Human galectin-3c in complex with a galactose derivative
分子名称: 4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide, CHLORIDE ION, Galectin-3, ...
著者Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T.
登録日2019-11-13
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3.
Molecules, 24, 2019
6TF6
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BU of 6tf6 by Molmil
Human galectin-3c in complex with a galactose derivative
分子名称: CHLORIDE ION, Galectin-3, ~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide
著者Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T.
登録日2019-11-13
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3.
Molecules, 24, 2019
6T9E
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BU of 6t9e by Molmil
Crystal structure of a bispecific DutaFab in complex with human PDGF
分子名称: DutaFab mat VH chain, DutaFab mat VL chain, Platelet-derived growth factor subunit B
著者Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H.
登録日2019-10-28
公開日2020-12-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.989 Å)
主引用文献DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously.
Nat Commun, 12, 2021
6SF5
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BU of 6sf5 by Molmil
Mn-containing form of the ribonucleotide reductase NrdB protein from Leeuwenhoekiella blandensis
分子名称: MANGANESE (II) ION, Ribonucleoside-diphosphate reductase, beta subunit 1
著者Hasan, M, Rozman Grinberg, I, Sjoberg, B.M, Logan, D.T.
登録日2019-08-01
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Class Id ribonucleotide reductase utilizes a Mn2(IV,III) cofactor and undergoes large conformational changes on metal loading.
J.Biol.Inorg.Chem., 24, 2019

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