6QFS
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![BU of 6qfs by Molmil](/molmil-images/mine/6qfs) | Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | Authors: | Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R. | Deposit date: | 2019-01-10 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Charge Interactions in a Highly Charge-depleted Protein J.Am.Chem.Soc., 2021
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3QE4
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![BU of 3qe4 by Molmil](/molmil-images/mine/3qe4) | An evolved aminoacyl-tRNA Synthetase with atypical polysubstrate specificity | Descriptor: | 4-cyano-L-phenylalanine, Tyrosyl-tRNA synthetase | Authors: | Young, D.D, Young, T.S, Jahnz, M, Ahmad, I, Spraggon, G, Schultz, P.G. | Deposit date: | 2011-01-19 | Release date: | 2011-02-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An Evolved Aminoacyl-tRNA Synthetase with Atypical Polysubstrate Specificity . Biochemistry, 50, 2011
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6G1D
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![BU of 6g1d by Molmil](/molmil-images/mine/6g1d) | Corynebacterium glutamicum OxyR C206 mutant | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Young, D.R, Pedre, B.P, Messens, J.M. | Deposit date: | 2018-03-21 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6G1B
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![BU of 6g1b by Molmil](/molmil-images/mine/6g1b) | Corynebacterium glutamicum OxyR, oxidized form | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, FORMIC ACID, HYDROGEN PEROXIDE, ... | Authors: | Young, D.R, Pedre, B.P, Messens, J.M. | Deposit date: | 2018-03-21 | Release date: | 2018-12-05 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6G4R
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![BU of 6g4r by Molmil](/molmil-images/mine/6g4r) | Corynebacterium glutamicum OxyR C206S mutant, H2O2-bound | Descriptor: | 1,2-ETHANEDIOL, HYDROGEN PEROXIDE, Hydrogen peroxide-inducible genes activator, ... | Authors: | Young, D.R, Pedre, B.P, Messens, J.M. | Deposit date: | 2018-03-28 | Release date: | 2018-12-05 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5LOL
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![BU of 5lol by Molmil](/molmil-images/mine/5lol) | Glutathione-bound Dehydroascorbate Reductase 2 of Arabidopsis thaliana | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione S-transferase DHAR2, ... | Authors: | Young, D.R, Pallo, A, Bodra, N, Messens, J. | Deposit date: | 2016-08-09 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Arabidopsis thaliana dehydroascorbate reductase 2: Conformational flexibility during catalysis. Sci Rep, 7, 2017
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6FWF
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![BU of 6fwf by Molmil](/molmil-images/mine/6fwf) | Low resolution structure of Neisseria meningitidis qNOR | Descriptor: | CALCIUM ION, FE (III) ION, Nitric-oxide reductase, ... | Authors: | Young, D, Antonyuk, S, Tosha, T, Hisano, T, Hasnain, S, Shiro, Y. | Deposit date: | 2018-03-06 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Characterization of the quinol-dependent nitric oxide reductase from the pathogen Neisseria meningitidis, an electrogenic enzyme. Sci Rep, 8, 2018
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5O84
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![BU of 5o84 by Molmil](/molmil-images/mine/5o84) | Glutathione S-transferase Tau 23 (partially oxidized) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ... | Authors: | Young, D.R, Van Molle, I, Tossounian, M, Messens, J. | Deposit date: | 2017-06-12 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage. Biochim. Biophys. Acta, 1862, 2018
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5NUE
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![BU of 5nue by Molmil](/molmil-images/mine/5nue) | Cytosolic Malate Dehydrogenase 1 (peroxide-treated) | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-ETHOXYETHANOL, ... | Authors: | Young, D, Messens, J, Huang, J, Reichheld, J.-P. | Deposit date: | 2017-04-29 | Release date: | 2018-02-28 | Last modified: | 2018-07-04 | Method: | X-RAY DIFFRACTION (1.35000277 Å) | Cite: | Self-protection of cytosolic malate dehydrogenase against oxidative stress in Arabidopsis. J. Exp. Bot., 69, 2018
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5NUF
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![BU of 5nuf by Molmil](/molmil-images/mine/5nuf) | Cytosolic Malate Dehydrogenase 1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Young, D, Messens, J, Huang, J, Reichheld, J.-P. | Deposit date: | 2017-04-29 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Self-protection of cytosolic malate dehydrogenase against oxidative stress in Arabidopsis. J. Exp. Bot., 69, 2018
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6VYJ
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![BU of 6vyj by Molmil](/molmil-images/mine/6vyj) | Human UHRF1 TTD domain in complex with a fragment | Descriptor: | 2,4-dimethylpyridine, E3 ubiquitin-protein ligase UHRF1, beta-D-glucopyranose | Authors: | Campbell, J.C, Chang, L, Young, D.W. | Deposit date: | 2020-02-26 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci Rep, 11, 2021
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4CMV
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![BU of 4cmv by Molmil](/molmil-images/mine/4cmv) | Crystal structure of Rv3378c | Descriptor: | CITRIC ACID, DITERPENE SYNTHASE, MERCURY (II) ION | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | Deposit date: | 2014-01-18 | Release date: | 2014-02-19 | Last modified: | 2014-03-12 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C. Proc.Natl.Acad.Sci.USA, 111, 2014
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4CMW
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![BU of 4cmw by Molmil](/molmil-images/mine/4cmw) | Crystal structure of Rv3378c | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | Deposit date: | 2014-01-18 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C. Proc.Natl.Acad.Sci.USA, 111, 2014
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4CMX
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![BU of 4cmx by Molmil](/molmil-images/mine/4cmx) | Crystal structure of Rv3378c | Descriptor: | 1,2-ETHANEDIOL, BENZENE HEXACARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | Deposit date: | 2014-01-18 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C. Proc.Natl.Acad.Sci.USA, 111, 2014
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6W92
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![BU of 6w92 by Molmil](/molmil-images/mine/6w92) | Human UHRF1 TTD domain | Descriptor: | E3 ubiquitin-protein ligase UHRF1 | Authors: | Campbell, J.C, Chang, L, Sankaran, B, Young, D.W. | Deposit date: | 2020-03-21 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci Rep, 11, 2021
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6EP7
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![BU of 6ep7 by Molmil](/molmil-images/mine/6ep7) | ARABIDOPSIS THALIANA GSTU23, GSH bound | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione S-transferase U23, ... | Authors: | Tossounian, M.A, Van Molle, I, Wahni, K, Jacques, S, Vertommen, D, Gevaert, K, Van Breusegem, F, Young, D, Rosado, L, Messens, J. | Deposit date: | 2017-10-11 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.947 Å) | Cite: | Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage. Biochim. Biophys. Acta, 1862, 2018
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1XZ0
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![BU of 1xz0 by Molmil](/molmil-images/mine/1xz0) | Crystal structure of CD1a in complex with a synthetic mycobactin lipopeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(HYDROXY-HEXADECANOYL-AMINO)-2-{[(4S)-2-(2-HYDROXY-PHENYL)-4,5-DIHYDRO-OXAZOLE-4-CARBONYL]-AMINO}-HEXANOIC ACID 2-[(3S)-1-(TERT-BUTYL-DIPHENYL-SILANYLOXY)-2-OXO-AZEPAN-3-YLCARBAMOYL]-(1S)-1-METHYL-ETHYL ESTER, Beta-2-microglobulin, ... | Authors: | Zajonc, D.M, Crispin, M.D, Bowden, T.A, Young, D.C, Cheng, T.Y, Hu, J, Costello, C.E, Miller, M.J, Moody, D.B, Wilson, I.A. | Deposit date: | 2004-11-11 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular Mechanism of Lipopeptide Presentation by CD1a. Immunity, 22, 2005
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6EP6
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![BU of 6ep6 by Molmil](/molmil-images/mine/6ep6) | ARABIDOPSIS THALIANA GSTU23, reduced | Descriptor: | GLYCEROL, Glutathione S-transferase U23, MAGNESIUM ION | Authors: | Tossounian, M.A, Van Molle, I, Wahni, K, Jacques, S, Vertommen, D, Gevaert, K, Van Breusegem, F, Young, D, Rosado, L, Messens, J. | Deposit date: | 2017-10-10 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage. Biochim. Biophys. Acta, 1862, 2018
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1IDS
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![BU of 1ids by Molmil](/molmil-images/mine/1ids) | X-RAY STRUCTURE ANALYSIS OF THE IRON-DEPENDENT SUPEROXIDE DISMUTASE FROM MYCOBACTERIUM TUBERCULOSIS AT 2.0 ANGSTROMS RESOLUTIONS REVEALS NOVEL DIMER-DIMER INTERACTIONS | Descriptor: | FE (III) ION, IRON SUPEROXIDE DISMUTASE | Authors: | Cooper, J.B, Mcintyre, K, Wood, S.P, Zhang, Y, Young, D. | Deposit date: | 1994-09-29 | Release date: | 1994-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure analysis of the iron-dependent superoxide dismutase from Mycobacterium tuberculosis at 2.0 Angstroms resolution reveals novel dimer-dimer interactions. J.Mol.Biol., 246, 1995
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1S4F
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![BU of 1s4f by Molmil](/molmil-images/mine/1s4f) | Crystal Structure of RNA-dependent RNA polymerase construct 2 from bovine viral diarrhea virus (BVDV) | Descriptor: | RNA-dependent RNA polymerase | Authors: | Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G. | Deposit date: | 2004-01-16 | Release date: | 2004-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1S49
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![BU of 1s49 by Molmil](/molmil-images/mine/1s49) | Crystal Structure of RNA-dependent RNA polymerase construct 1 (residues 71-679) from bovine viral diarrhea virus complexed with GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, RNA-dependent RNA polymerase | Authors: | Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G. | Deposit date: | 2004-01-15 | Release date: | 2004-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1S48
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![BU of 1s48 by Molmil](/molmil-images/mine/1s48) | Crystal structure of RNA-dependent RNA polymerase construct 1 (residues 71-679) from BVDV | Descriptor: | RNA-dependent RNA polymerase | Authors: | Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G. | Deposit date: | 2004-01-15 | Release date: | 2004-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation. Proc.Natl.Acad.Sci.Usa, 101, 2004
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4J1R
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![BU of 4j1r by Molmil](/molmil-images/mine/4j1r) | Crystal Structure of GSK3b in complex with inhibitor 15R | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-01 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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1OGW
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![BU of 1ogw by Molmil](/molmil-images/mine/1ogw) | Synthetic Ubiquitin with fluoro-Leu at 50 and 67 | Descriptor: | UBIQUITIN | Authors: | Alexeev, D, Ramage, R, Young, D.W, Sawyer, L. | Deposit date: | 2003-05-13 | Release date: | 2003-05-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Synthesis, Structural and Biological Studies of Ubiquitin Mutants Containing (2S, 4S)-5-Fluoroleucine Residues Strategically Placed in the Hydrophobic Core Chembiochem, 4, 2003
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1GN2
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![BU of 1gn2 by Molmil](/molmil-images/mine/1gn2) | S123C mutant of the iron-superoxide dismutase from Mycobacterium tuberculosis. | Descriptor: | FE (III) ION, SUPEROXIDE DISMUTASE | Authors: | Bunting, K.A, Cooper, J.B, Tickle, I.J, Young, D.B. | Deposit date: | 2001-10-02 | Release date: | 2001-10-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Engineering of an Intersubunit Disulfide Bridge in the Iron-Superoxide Dismutase of Mycobacterium Tuberculosis. Arch.Biochem.Biophys., 397, 2002
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