5ZPQ
| Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 9 at 288 K (1) | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, PHENYLACETALDEHYDE, ... | Authors: | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | Deposit date: | 2018-04-16 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1VQM
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4JRX
| Crystal Structure of CA5 TCR-HLA B*3505-LPEP complex | Descriptor: | Beta-2-microglobulin, CA5 TCR alpha chain, CA5 TCR beta chain, ... | Authors: | Liu, Y.C, Rossjohn, J, Gras, S. | Deposit date: | 2013-03-22 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Highly divergent T-cell receptor binding modes underlie specific recognition of a bulged viral peptide bound to a human leukocyte antigen class I molecule. J.Biol.Chem., 288, 2013
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1VQ9
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1VQK
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1VQ8
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1VQL
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1VQN
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1VQO
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8EZ4
| Plasmodium falciparum M17 in complex with inhibitor 9aa | Descriptor: | CARBONATE ION, M17 leucyl aminopeptidase, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide, ... | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | Deposit date: | 2022-10-31 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation. Eur.J.Med.Chem., 248, 2022
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5JZY
| Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide, DIMETHYL SULFOXIDE, ... | Authors: | Sandner, A, Heine, A, Klebe, G. | Deposit date: | 2016-05-17 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
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4OU2
| A 2.15 Angstroms X-ray crystal structure of E268A 2-aminomuconate 6-semialdehyde dehydrogenase catalytic intermediate from Pseudomonas fluorescens | Descriptor: | (2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Huo, L, Liu, A. | Deposit date: | 2014-02-14 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action. Nat Commun, 6, 2015
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5KD8
| BT_4244 metallopeptidase in complex with Tn antigen. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Metallopeptidase, NICKEL (II) ION, ... | Authors: | Noach, I, Boraston, A.B. | Deposit date: | 2016-06-07 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Recognition of protein-linked glycans as a determinant of peptidase activity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8F5T
| Rabbit muscle pyruvate kinase in complex with sodium and magnesium | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Holyoak, T, Fenton, A.W. | Deposit date: | 2022-11-15 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes. Database (Oxford), 2023, 2023
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4PWC
| Phl p 4 I153V N158H variant, a glucose oxidase, 3.5 M NaBr soak | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pollen allergen Phl p 4.0202, ... | Authors: | Zafred, D, Keller, W, Macheroux, P. | Deposit date: | 2014-03-19 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
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4PZ2
| Structure of Zm ALDH2-6 (RF2F) in complex with NAD | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2014-03-28 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7. Biochem.J., 468, 2015
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2RG8
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4Q3D
| PylD cocrystallized with L-Ornithine-Nd-D-ornithine and NAD+ | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2014-04-11 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 53, 2014
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6UBV
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8F6B
| Crystal structure of murine PolG2 hexamer bound to DNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3'), ... | Authors: | Wojtaszek, J.L, Hoff, K.E, Williams, R.S. | Deposit date: | 2022-11-16 | Release date: | 2023-08-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-specific roles for PolG2-DNA complexes in maintenance and replication of mitochondrial DNA. Nucleic Acids Res., 51, 2023
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4PY9
| Crystal structure of an exopolyphosphatase-related protein from Bacteroides Fragilis. Northeast Structural Genomics target BFR192 | Descriptor: | PHOSPHATE ION, Putative exopolyphosphatase-related protein, SODIUM ION | Authors: | Seetharaman, J, Abashidze, M, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-03-26 | Release date: | 2014-06-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of an exopolyphosphatase-related protein from Bacteroides Fragilis. Northeast Structural Genomics target BFR192 To be Published
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6U6C
| Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK2-bound form | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ... | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-29 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase. Protein Sci., 29, 2020
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4Q3C
| PylD cocrystallized with L-Lysine-Ne-L-lysine and NAD+ | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2014-04-11 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 53, 2014
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5LBV
| Structural basis of zika and dengue virus potent antibody cross-neutralization | Descriptor: | SODIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, envelope protein E | Authors: | Barba-Spaeth, G. | Deposit date: | 2016-06-17 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of potent Zika-dengue virus antibody cross-neutralization. Nature, 536, 2016
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3RJJ
| Ternary complex crystal structure of DNA Polymerase Beta with template 8odG provides insight into mutagenic lesion bypass | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*(8OG)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | Deposit date: | 2011-04-15 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion. Proc.Natl.Acad.Sci.USA, 109, 2012
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