6QGE
 
 | | Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-01-11 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
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6QGF
 | | Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-01-11 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
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6QLT
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-7 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, DI(HYDROXYETHYL)ETHER, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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6QLO
 | | Galectin-3C in complex with substituted fluoroaryltriazole monothiogalactoside derivative 1 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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6QLQ
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 4 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.079 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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6QLR
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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6QLU
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-8 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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6R2W
 | | Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ... | | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | Deposit date: | 2019-03-19 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa.
J.Biol.Chem., 295, 2020
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6R71
 | | Crystal structure of human carbonic anhydrase isozyme XII with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-03-28 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
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6RS6
 | | X-ray crystal structure of LsAA9B | | Descriptor: | AA9, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2019-05-21 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
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6R6J
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-03-27 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
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6QLN
 | | Galectin-3C in complex with fluoroaryl triazole monothiogalactoside derivative 2 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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6RS7
 | | X-ray crystal structure of LsAA9B (deglycosylated form) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, ... | | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2019-05-21 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
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6RS8
 | | X-ray crystal structure of LsAA9B (transition metals soak) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2019-05-21 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
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6RWF
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3D4J
 | | Crystal structure of Human mevalonate diphosphate decarboxylase | | Descriptor: | Diphosphomevalonate decarboxylase, SULFATE ION | | Authors: | Voynova, N.E, Fu, Z, Battaile, K, Herdendorf, T.J, Kim, J.-J.P, Miziorko, H.M. | | Deposit date: | 2008-05-14 | | Release date: | 2008-12-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human mevalonate diphosphate decarboxylase: characterization, investigation of the mevalonate diphosphate binding site, and crystal structure.
Arch.Biochem.Biophys., 480, 2008
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5OAK
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3CU7
 | | Human Complement Component 5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | | Authors: | Fredslund, F, Andersen, G.R. | | Deposit date: | 2008-04-16 | | Release date: | 2008-06-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.105 Å) | | Cite: | Structure of and influence of a tick complement inhibitor on human complement component 5
Nat.Immunol., 9, 2008
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5OGW
 | | Cryo-EM structure of jasplakinolide-stabilized malaria parasite F-actin at near-atomic resolution | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ... | | Authors: | Pospich, S, Kumpula, E.-P, von der Ecken, J, Vahokoski, J, Kursula, I, Raunser, S. | | Deposit date: | 2017-07-13 | | Release date: | 2017-09-27 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Near-atomic structure of jasplakinolide-stabilized malaria parasite F-actin reveals the structural basis of filament instability.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4UZ3
 | | Crystal structure of the N-terminal LysM domains from the putative NlpC/P60 D,L endopeptidase from T. thermophilus bound to N-acetyl-chitohexaose | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Wong, J.E.M.M, Blaise, M. | | Deposit date: | 2014-09-04 | | Release date: | 2015-01-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | An Intermolecular Binding Mechanism Involving Multiple Lysm Domains Mediates Carbohydrate Recognition by an Endopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
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4WB3
 | | Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a-desArg complement anaphylatoxin | | Descriptor: | ACETATE ION, CALCIUM ION, Complement C5, ... | | Authors: | Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R. | | Deposit date: | 2014-09-02 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
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4WB2
 | | Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a complement anaphylatoxin | | Descriptor: | ACETATE ION, CALCIUM ION, Complement C5, ... | | Authors: | Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R. | | Deposit date: | 2014-09-02 | | Release date: | 2015-05-06 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
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4WCB
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H309Q | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-04 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4WBI
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutations H230Q and H309Q | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-03 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4UZ2
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