6IC6
 
 | | Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | Deposit date: | 2018-12-02 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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7AYV
 | | X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ... | | Authors: | Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S. | | Deposit date: | 2020-11-13 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021
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7AI3
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7AI2
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7APR
 | | Bacillithiol Disulfide Reductase Bdr (YpdA) from Staphylococcus aureus | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YpdA family putative bacillithiol disulfide reductase Bdr | | Authors: | Hammerstad, M, Hersleth, H.-P. | | Deposit date: | 2020-10-19 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Crystal Structures of Bacillithiol Disulfide Reductase Bdr (YpdA) Provide Structural and Functional Insight into a New Type of FAD-Containing NADPH-Dependent Oxidoreductase.
Biochemistry, 59, 2020
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3EJG
 | | Crystal structure of HCoV-229E X-domain | | Descriptor: | Non-structural protein 3 | | Authors: | Piotrowski, Y, Hansen, G, Hilgenfeld, R. | | Deposit date: | 2008-09-18 | | Release date: | 2008-09-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
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7B5V
 | | The carbohydrate binding module family 48 (CBM48) and carboxy-terminal carbohydrate esterase family 1 (CE1) domains of the multidomain esterase DmCE1B from Dysgonomonas mossii | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Carbohydrate Esterase family 1 protein with an N-terminal carbohydrate binding module family 48, ... | | Authors: | Mazurkewich, S, Kmezik, C, Branden, G, Larsbrink, J. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A polysaccharide utilization locus from the gut bacterium Dysgonomonas mossii encodes functionally distinct carbohydrate esterases.
J.Biol.Chem., 296, 2021
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7B65
 | | Structure of NUDT15 R139C Mutant in complex with TH7755 | | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B63
 | | Structure of NUDT15 in complex with TH7755 | | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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6HA5
 | | AFGH61B L90V/D131S/M134L/A141W VARIANT | | Descriptor: | ACETATE ION, COPPER (II) ION, Endoglucanase, ... | | Authors: | Lo Leggio, L, Poulsen, J.C.N. | | Deposit date: | 2018-08-07 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant.
Carbohydr. Res., 469, 2018
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7B66
 | | Structure of NUDT15 R139H Mutant in complex with TH7755 | | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B64
 | | Structure of NUDT15 V18I Mutant in complex with TH7755 | | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7AVG
 | | Perdeuterated hen egg-white lysozyme at 100 K | | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION | | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | Deposit date: | 2020-11-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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3DL4
 | | Non-Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | | Descriptor: | Acetylcholinesterase, HEXAETHYLENE GLYCOL | | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | | Deposit date: | 2008-06-26 | | Release date: | 2008-12-02 | | Last modified: | 2021-03-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
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3GOQ
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3GKW
 | | Crystal structure of the Fab fragment of Nimotuzumab. An anti-epidermal growth factor receptor antibody | | Descriptor: | DI(HYDROXYETHYL)ETHER, Heavy chain of the antibody Nimotuzumab, Light chain of the antibody Nimotuzumab, ... | | Authors: | Talavera, A, Friemann, R, Martinez-Fleites, C, Moreno, E, Krengel, U. | | Deposit date: | 2009-03-11 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nimotuzumab, an antitumor antibody that targets the epidermal growth factor receptor, blocks ligand binding while permitting the active receptor conformation
Cancer Res., 69, 2009
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3EAO
 | | Crystal structure of recombinant rat selenoprotein thioredoxin reductase 1 with oxidized C-terminal tail | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1, ... | | Authors: | Sandalova, T, Cheng, Q, Lindqvist, Y, Arner, E. | | Deposit date: | 2008-08-26 | | Release date: | 2008-12-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure and catalysis of the selenoprotein thioredoxin reductase 1.
J.Biol.Chem., 284, 2009
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3EBO
 | | Glycogen Phosphorylase b/Chrysin complex | | Descriptor: | Glycogen phosphorylase, muscle form, chrysin | | Authors: | Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M. | | Deposit date: | 2008-08-28 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol
Food Chem.Toxicol., 61, 2013
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3EXT
 | | Crystal structure of KGPDC from Streptococcus mutans | | Descriptor: | MAGNESIUM ION, RmpD (Hexulose-6-phosphate synthase) | | Authors: | Liu, X, Li, G.L, Li, L.F, Su, X.D. | | Deposit date: | 2008-10-17 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Open-closed conformational change revealed by the crystal structures of 3-keto-L-gulonate 6-phosphate decarboxylase from Streptococcus mutans
Biochem.Biophys.Res.Commun., 381, 2009
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6I93
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6IAO
 | | Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Mirza, O, Rafiq, M, Frydenvang, K. | | Deposit date: | 2018-11-27 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol.
Plos One, 14, 2019
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6I74
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.959 Å) | | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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3GWI
 | | Crystal Structure of Mg-ATPase Nucleotide binding domain | | Descriptor: | Magnesium-transporting ATPase, P-type 1, SULFATE ION | | Authors: | Hakansson, K.O. | | Deposit date: | 2009-04-01 | | Release date: | 2009-12-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of Mg-ATPase nucleotide-binding domain at 1.6 A resolution reveals a unique ATP-binding motif
Acta Crystallogr.,Sect.D, 65, 2009
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6L05
 | | Crystal structure of uPA_H99Y in complex with 50F | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator | | Authors: | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | | Deposit date: | 2019-09-26 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of uPA_H99Y in complex with 50F
To Be Published
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3GRH
 | | Crystal structure of escherichia coli ybhc | | Descriptor: | Acyl-CoA thioester hydrolase ybgC | | Authors: | Eklof, J.M, Tan, T.C, Divne, C, Brumer, H. | | Deposit date: | 2009-03-25 | | Release date: | 2009-04-07 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of the outer membrane lipoprotein YbhC from Escherichia coli sheds new light on the phylogeny of carbohydrate esterase family 8.
Proteins, 76, 2009
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