8EBR
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8OPV
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5T7N
| X-ray crystal structure of AA13 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2016-09-05 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder. Acta Crystallogr D Struct Biol, 73, 2017
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8OQM
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5LTW
| Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 | Descriptor: | 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heat shock protein beta-6, ... | Authors: | Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V. | Deposit date: | 2016-09-07 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator. Structure, 25, 2017
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5CN4
| Ultrafast dynamics in myoglobin: -0.1 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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8E5M
| Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 6 | Descriptor: | 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L, Gathiaka, S. | Deposit date: | 2022-08-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods. Bioorg.Med.Chem.Lett., 84, 2023
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5M3C
| Structure of the hybrid domain (GGDEF-EAL) of PA0575 from Pseudomonas aeruginosa PAO1 at 2.8 Ang. with GTP and Ca2+ bound to the active site of the GGDEF domain | Descriptor: | CALCIUM ION, Diguanylate cyclase, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Giardina, G, Brunotti, P, Cutruzzola, F, Rinaldo, S. | Deposit date: | 2016-10-14 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into the GTP-dependent allosteric control of c-di-GMP hydrolysis from the crystal structure of PA0575 protein from Pseudomonas aeruginosa. FEBS J., 285, 2018
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8JZJ
| E.coli Glyceraldehyde-3-phosphate dehydrogenase structure under cryoprotect condition of ammonium sulfate | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | Authors: | Jang, K, Hlaing, S.H.S, Kim, H.G, Kim, N, Choe, H.W, Kim, Y.J. | Deposit date: | 2023-07-05 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | E.coli Glyceraldehyde-3-phosphate dehydrogenase structure under cryoprotect condition of ammonium sulfate To Be Published
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8AX3
| Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl fluoride | Descriptor: | (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2022-08-30 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases To be published
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1AYM
| HUMAN RHINOVIRUS 16 COAT PROTEIN AT HIGH RESOLUTION | Descriptor: | HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ... | Authors: | Hadfield, A.T, Rossmann, M.G. | Deposit date: | 1997-11-06 | Release date: | 1998-01-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The refined structure of human rhinovirus 16 at 2.15 A resolution: implications for the viral life cycle. Structure, 5, 1997
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8DSN
| Peptidylglycine alpha hydroxylating monoxygenase, Q272A | Descriptor: | COPPER (II) ION, GLYCEROL, Peptidylglycine alpha-amidating monooxygenase | Authors: | Arias, R.J, Blackburn, N.J. | Deposit date: | 2022-07-22 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | New structures reveal flexible dynamics between the subdomains of peptidylglycine monooxygenase. Implications for an open to closed mechanism. Protein Sci., 32, 2023
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6CDF
| Human CtBP1 (28-378) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, CALCIUM ION, ... | Authors: | Royer, W.E, Bellesis, A.G. | Deposit date: | 2018-02-08 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Assembly of human C-terminal binding protein (CtBP) into tetramers. J. Biol. Chem., 293, 2018
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8AWR
| Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride | Descriptor: | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol, (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2022-08-30 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases To be published
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8AWK
| Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride | Descriptor: | (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2022-08-30 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases To be published
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5TBO
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421 | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M. | Deposit date: | 2016-09-12 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria. ACS Infect Dis, 2, 2016
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5MKV
| Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2) residues 13-516 | Descriptor: | 1,2-ETHANEDIOL, Dihydropyrimidinase-related protein 2 | Authors: | Sethi, R, Zheng, Y, Krojer, T, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F. | Deposit date: | 2016-12-05 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation. Nat Commun, 9, 2018
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8DSJ
| Peptidylglycine alpha hydroxylating monooxygenase anaerobic | Descriptor: | COPPER (II) ION, GLYCEROL, Peptidylglycine alpha-amidating monooxygenase | Authors: | Arias, R.J, Blackburn, N.J. | Deposit date: | 2022-07-22 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | New structures reveal flexible dynamics between the subdomains of peptidylglycine monooxygenase. Implications for an open to closed mechanism. Protein Sci., 32, 2023
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1R5L
| Crystal Structure of Human Alpha-Tocopherol Transfer Protein Bound to its Ligand | Descriptor: | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, PROTEIN (Alpha-tocopherol transfer protein) | Authors: | Min, K.C, Kovall, R.A, Hendrickson, W.A. | Deposit date: | 2003-10-10 | Release date: | 2003-11-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of human alpha-tocopherol transfer protein bound to its ligand: Implications for ataxia with vitamin E deficiency Proc.Natl.Acad.Sci.USA, 100, 2003
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6CDR
| Human CtBP1 (28-378) | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | Authors: | Royer, W.E, Bellesis, A.G. | Deposit date: | 2018-02-09 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Assembly of human C-terminal binding protein (CtBP) into tetramers. J. Biol. Chem., 293, 2018
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6CER
| Human pyruvate dehydrogenase complex E1 component V138M mutation | Descriptor: | MAGNESIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, somatic form, ... | Authors: | Whitley, M.J, Arjunan, P, Furey, W. | Deposit date: | 2018-02-12 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Pyruvate dehydrogenase complex deficiency is linked to regulatory loop disorder in the alpha V138M variant of human pyruvate dehydrogenase. J. Biol. Chem., 293, 2018
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4RDY
| Crystal structure of VmoLac bound to 3-oxo-C10 AHL | Descriptor: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide, COBALT (II) ION, GLYCEROL, ... | Authors: | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | Deposit date: | 2014-09-20 | Release date: | 2015-02-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia. Sci Rep, 5, 2015
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1RQ4
| Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin, HEMOGLOBIN EXPOSED TO NO UNDER AEROBIC CONDITIONS | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, NITRIC OXIDE, ... | Authors: | Chan, N.L, Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2003-12-04 | Release date: | 2003-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin. Biochemistry, 43, 2004
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5MQ6
| Polycyclic Ketone Monooxygenase from the Thermophilic Fungus Thermothelomyces thermophila | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Savino, S, Furst, M.J.L.J, Fraaije, M.W, Mattevi, A. | Deposit date: | 2016-12-20 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Polycyclic Ketone Monooxygenase from the Thermophilic Fungus Thermothelomyces thermophila: A Structurally Distinct Biocatalyst for Bulky Substrates. J. Am. Chem. Soc., 139, 2017
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5TDS
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