5JM4
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![BU of 5jm4 by Molmil](/molmil-images/mine/5jm4) | Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | Deposit date: | 2016-04-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions. J. Med. Chem., 60, 2017
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5J31
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![BU of 5j31 by Molmil](/molmil-images/mine/5j31) | Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, Exoenzyme S | Authors: | Wallraven, K, Cromm, P, Bier, D, Glas, A, Grossmann, T. | Deposit date: | 2016-03-30 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne Metathesis. Chembiochem, 17, 2016
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4N84
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![BU of 4n84 by Molmil](/molmil-images/mine/4n84) | Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-17 | Release date: | 2014-02-19 | Last modified: | 2014-03-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction. Angew.Chem.Int.Ed.Engl., 53, 2014
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4N7Y
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![BU of 4n7y by Molmil](/molmil-images/mine/4n7y) | Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-16 | Release date: | 2014-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction. Angew.Chem.Int.Ed.Engl., 53, 2014
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4N7G
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![BU of 4n7g by Molmil](/molmil-images/mine/4n7g) | Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-15 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction. Angew.Chem.Int.Ed.Engl., 53, 2014
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3CVY
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![BU of 3cvy by Molmil](/molmil-images/mine/3cvy) | Drosophila melanogaster (6-4) photolyase bound to repaired ds DNA | Descriptor: | DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and mechanism of a DNA (6-4) photolyase. Angew.Chem.Int.Ed.Engl., 47, 2008
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3CVU
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![BU of 3cvu by Molmil](/molmil-images/mine/3cvu) | Drosophila melanogaster (6-4) photolyase bound to ds DNA with a T-T (6-4) photolesion | Descriptor: | DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and mechanism of a DNA (6-4) photolyase. Angew.Chem.Int.Ed.Engl., 47, 2008
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3CVX
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![BU of 3cvx by Molmil](/molmil-images/mine/3cvx) | Drosophila melanogaster (6-4) photolyase H369M mutant bound to ds DNA with a T-T (6-4) photolesion | Descriptor: | DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2009-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and mechanism of a coenzyme F0
accelerated (6-4) photolyase from the fruit fly To be Published
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3CVW
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![BU of 3cvw by Molmil](/molmil-images/mine/3cvw) | Drosophila melanogaster (6-4) photolyase H365N mutant bound to ds DNA with a T-T (6-4) photolesion and cofactor F0 | Descriptor: | 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2009-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and mechanism of a cofactor f0
accelerated (6-4) photolyase from the fruit fly To be Published
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2J23
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![BU of 2j23 by Molmil](/molmil-images/mine/2j23) | Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family | Descriptor: | THIOREDOXIN | Authors: | Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R. | Deposit date: | 2006-08-16 | Release date: | 2006-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family. J Immunol., 178, 2007
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9C4D
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![BU of 9c4d by Molmil](/molmil-images/mine/9c4d) | |
9C4C
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![BU of 9c4c by Molmil](/molmil-images/mine/9c4c) | The structure of two MntR dimers bound to the native mnep promoter sequence | Descriptor: | DNA (38-MER), DNA (39-MER), HTH-type transcriptional regulator MntR, ... | Authors: | Shi, H, Fu, Y, Glasfeld, A, Ahuja, S. | Deposit date: | 2024-06-04 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | The structure of two MntR dimers bound to the native mnep promoter sequence. To Be Published
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6OB5
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![BU of 6ob5 by Molmil](/molmil-images/mine/6ob5) | Computationally-designed, modular sense/response system (S3-2D) | Descriptor: | Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ... | Authors: | Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T. | Deposit date: | 2019-03-19 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | Computational design of a modular protein sense-response system. Science, 366, 2019
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5NHY
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![BU of 5nhy by Molmil](/molmil-images/mine/5nhy) | BAY-707 in complex with MTH1 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SULFATE ION, ... | Authors: | Ellermann, M, Eheim, A, Giese, A, Bunse, S, Nowak-Reppel, K, Neuhaus, R, Weiske, J, Quanz, M, Glasauer, A, Meyer, H, Queisser, N, Irlbacher, H, Bader, B, Rahm, F, Viklund, J, Andersson, M, Ericsson, U, Ginman, T, Forsblom, R, Lindstrom, J, Silvander, C, Tresaugues, L, Gorjanacz, M. | Deposit date: | 2017-03-22 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target. ACS Chem. Biol., 12, 2017
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1WET
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![BU of 1wet by Molmil](/molmil-images/mine/1wet) | STRUCTURE OF THE PURR-GUANINE-PURF OPERATOR COMPLEX | Descriptor: | DNA (5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*CP*GP*TP*TP*TP*TP*CP*GP*T )-3'), GUANINE, PROTEIN (PURINE REPRESSOR) | Authors: | Schumacher, M.A, Glasfeld, A, Zalkin, H, Brennan, R.G. | Deposit date: | 1997-04-27 | Release date: | 1997-11-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The X-ray structure of the PurR-guanine-purF operator complex reveals the contributions of complementary electrostatic surfaces and a water-mediated hydrogen bond to corepressor specificity and binding affinity. J.Biol.Chem., 272, 1997
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8TR5
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![BU of 8tr5 by Molmil](/molmil-images/mine/8tr5) | Cryo-EM structure of the rat P2X7 receptor in the apo closed state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, P2X purinoceptor 7, ... | Authors: | Oken, A.C, Lisi, N.E, Krishnamurthy, I, McCarthy, A.E, Godsey, M.H, Glasfeld, A, Mansoor, S.E. | Deposit date: | 2023-08-09 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | High-affinity agonism at the P2X 7 receptor is mediated by three residues outside the orthosteric pocket. Nat Commun, 15, 2024
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8TRJ
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![BU of 8trj by Molmil](/molmil-images/mine/8trj) | Cryo-EM structure of the rat P2X7 receptor in complex with the high-affinity agonist BzATP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate), GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Oken, A.C, Lisi, N.E, Krishnamurthy, I, McCarthy, A.E, Godsey, M.H, Glasfeld, A, Mansoor, S.E. | Deposit date: | 2023-08-09 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | High-affinity agonism at the P2X 7 receptor is mediated by three residues outside the orthosteric pocket. Nat Commun, 15, 2024
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8V4S
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![BU of 8v4s by Molmil](/molmil-images/mine/8v4s) | Cryo-EM structure of the rat P2X7 receptor in the apo closed state purified in the absence of sodium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, P2X purinoceptor 7, ... | Authors: | Oken, A.C, Lisi, N.E, Krishnamurthy, I, McCarthy, A.E, Godsey, M.H, Glasfeld, A, Mansoor, S.E. | Deposit date: | 2023-11-29 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | High-affinity agonism at the P2X 7 receptor is mediated by three residues outside the orthosteric pocket. Nat Commun, 15, 2024
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4U1G
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![BU of 4u1g by Molmil](/molmil-images/mine/4u1g) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody QA1 | Descriptor: | QA1 monoclonal antibody heavy chain, QA1 monoclonal antibody light chain, Reticulocyte binding protein 5 | Authors: | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | Deposit date: | 2014-07-15 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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4U0R
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![BU of 4u0r by Molmil](/molmil-images/mine/4u0r) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody 9AD4 | Descriptor: | Monoclonal antibody 9AD4 heavy chain, Monoclonal antibody 9AD4 light chain, Reticulocyte binding protein 5 | Authors: | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | Deposit date: | 2014-07-14 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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8A1E
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![BU of 8a1e by Molmil](/molmil-images/mine/8a1e) | Rabies virus glycoprotein in complex with Fab fragments of 17C7 and 1112-1 neutralizing antibodies | Descriptor: | Fab 1112-1 heavy chain variable domain, Fab 1112-1 light chain variable domain, Fab 17C7 heavy chain variable domain, ... | Authors: | Ng, W.M, Fedosyuk, S, English, S, Augusto, G, Berg, A, Thorley, L, Haselon, A.S, Segireddy, R.R, Bowden, T.A, Douglas, A.D. | Deposit date: | 2022-06-01 | Release date: | 2022-08-17 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structure of trimeric pre-fusion rabies virus glycoprotein in complex with two protective antibodies. Cell Host Microbe, 30, 2022
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4U0Q
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![BU of 4u0q by Molmil](/molmil-images/mine/4u0q) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to basigin | Descriptor: | Basigin, Reticulocyte binding protein 5 | Authors: | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | Deposit date: | 2014-07-14 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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5CVI
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![BU of 5cvi by Molmil](/molmil-images/mine/5cvi) | Structure of the manganese regulator SloR | Descriptor: | 1,2-ETHANEDIOL, SloR, ZINC ION | Authors: | Nye, D, Glasfeld, A. | Deposit date: | 2015-07-27 | Release date: | 2015-08-12 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | SloR structure and DNA binding studies inform the SloR-SRE interaction in Streptococcus mutans to be published
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3HRU
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![BU of 3hru by Molmil](/molmil-images/mine/3hru) | Crystal Structure of ScaR with bound Zn2+ | Descriptor: | Metalloregulator ScaR, SULFATE ION, ZINC ION | Authors: | Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A. | Deposit date: | 2009-06-09 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Characterization and structure of the manganese-responsive transcriptional regulator ScaR. Biochemistry, 48, 2009
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3HRT
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![BU of 3hrt by Molmil](/molmil-images/mine/3hrt) | Crystal Structure of ScaR with bound Cd2+ | Descriptor: | CADMIUM ION, Metalloregulator ScaR, SULFATE ION | Authors: | Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A. | Deposit date: | 2009-06-09 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Characterization and structure of the manganese-responsive transcriptional regulator ScaR. Biochemistry, 48, 2009
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