Analysis of zinc binding sites in protein crystal structures

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Items 201–300 of 426

1. The zinc-binding motif of human RECQ5β suppresses the intrinsic strand-annealing activity of its DExH helicase domain and is essential for the helicase activity of the enzyme
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2. Impact of histidine spacing on modified polyhistidine tag – Metal ion interactions
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3. Functional annotation by identification of local surface similarities: a novel tool for structural genomics
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4. Role of Conserved Glycine in Zinc-dependent Medium Chain Dehydrogenase/Reductase Superfamily
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5. The polyketide cyclase RemF from Streptomyces resistomycificus contains an unusual octahedral zinc binding site
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6. Validation and correction of Zn–Cys x His y complexes
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7. Structure and Stability of the α-Helix: Lessons for Design
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8. Structure and Function of Non-Native Metal Clusters in Human Arginase I
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9. Biomimetic zinc(II) and cobalt(II) complexes with tri-tert-butoxysilanethiolate and imidazole ligands – Structural and spectroscopic studies
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10. Quantum Chemistry Study on the Interaction of the Exogenous Ligands and the Catalytic Zinc Ion in Matrix Metalloproteinases
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11. Zinc's Affect on Proton Transfer between Imidazole and Acetate Predicted by ab Initio Calculations
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12. Transcriptional Regulation of Genes Involved in Zinc Uptake, Sequestration and Redistribution Following Foliar Zinc Application to Medicago sativa
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13. X-Ray Absorption Studies of Zn2+ Binding Sites in Bacterial, Avian, and Bovine Cytochrome bc1 Complexes
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15. The GCM domain is a Zn‐coordinating DNA‐binding domain
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16. Zn-binding AZUL domain of human ubiquitin protein ligase Ube3A
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17. Intersubunit physical couplings fostered by the left flipper domain facilitate channel opening of P2X4 receptors
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18. Predicting Nonspecific Ion Binding Using DelPhi
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19. Specific metallo-protein interactions and antimicrobial activity in Histatin-5, an intrinsically disordered salivary peptide
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20. Structure of the zinc-binding site in the crystal structure of a zinc endoprotease from Streptomyces caespitosus at 1 Å resolution
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21. Differential Effects of the Zn−His−Bkb vs Zn−His−[Asp/Glu] Triad on Zn-Core Stability and Reactivity
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22. Atomic Constraints between the Voltage Sensor and the Pore Domain in a Voltage-gated K+ Channel of Known Structure
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23. A less‐biased analysis of metalloproteins reveals novel zinc coordination geometries
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24. Active Site Loop Dynamics of a Class IIa Fructose 1,6-Bisphosphate Aldolase from Mycobacterium tuberculosis
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26. SwitCCh: Metal‐Site Design for Controlling the Assembly of a Coiled‐Coil Homodimer
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27. Impact of C- and N-terminal protection on the stability, metal chelation and antimicrobial properties of calcitermin
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28. A DFT study on the reaction mechanism for dimethyl carbonate synthesis from methyl carbamate and methanol
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29. Selective Recognition of Cysteine in Its Free and Protein‐Bound States by the Zn 2+ Complex of a Triazole‐Based Calix[4]arene Conjugate
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30. Engineered Mononuclear Variants in Bacillus cereus Metallo-β-lactamase BcII Are Inactive
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31. QM/MM Analysis of Transition States and Transition State Analogues in Metalloenzymes
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33. Phytoextraction of Zinc: Physiological and Molecular Mechanism
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34. A comparison of the coordination geometries of some 4-methylimidazole-5-carbaldehyde complexes with Zn(II), Cd(II) and Co(II) ions in the solid state and aqueous solution
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35. The Small Myelin‐Associated Glycoprotein Is a Zinc‐Binding Protein
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36. Ion binding to biological macromolecules.
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37. Crystal Structure of Human Leukocyte Cell-derived Chemotaxin 2 (LECT2) Reveals a Mechanistic Basis of Functional Evolution in a Mammalian Protein with an M23 Metalloendopeptidase Fold
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38. NMR, DFT and luminescence studies of the complexation of Zn(ii) with 8-hydroxyquinoline-5-sulfonate
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39. A Conserved Salt Bridge between Transmembrane Segments 1 and 10 Constitutes an Extracellular Gate in the Dopamine Transporter
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40. Differential Protein Mobility of the γ-Aminobutyric Acid, Type A, Receptor α and β Subunit Channel-lining Segments
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41. Conserved amino acids in metal-binding motifs of PDE3A are involved in substrate and inhibitor binding
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42. Zn2+ Modulation of Neurotransmitter Transporters
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43. Hydrophilic and hydrophobic interactions in concentrated aqueous imidazole solutions: a neutron diffraction and total X-ray scattering study
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44. Modulation of biomolecular phase behavior by metal ions
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45. Analysis of copper–ligand bond lengths in X-ray structures of different types of copper sites in proteins
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46. Effect of Zn 2+ ions on the assembly of amylin oligomers: insight into the molecular mechanisms
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47. Molecular insight into pseudolysin inhibition using the MM-PBSA and LIE methods
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48. Activation of the Yeast UBI4 Polyubiquitin Gene by Zap1 Transcription Factor via an Intragenic Promoter Is Critical for Zinc-deficient Growth
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49. Voltage-dependent gating in K channels: experimental results and quantitative models
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50. The Copper Chaperone NosL Forms a Heterometal Site for Cu Delivery to Nitrous Oxide Reductase
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51. Molecular Insight into the Regulation of Vimentin by Cysteine Modifications and Zinc Binding
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52. Molecular Dynamics of Organophosphorous Hydrolases Bound to the Nerve Agent Soman
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53. Ab Initio Structure of the Active Site of Phosphotriesterase
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54. Protein Interface Zinc Sites: The Role of Zinc in the Supramolecular Assembly of Proteins and in Transient Protein–Protein Interactions
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55. Stability and Design of α‐Helices
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56. Genetically Expanded Reactive-Oxygen-Tolerant Alcohol Dehydrogenase II
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57. Aryl Bis‐Sulfonamide Inhibitors of IspF from Arabidopsis thaliana and Plasmodium falciparum
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58. Structure and biochemical characterization of an adenylate kinase originating from the psychrophilic organismMarinibacillus marinus
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59. Novel zinc complexes with acetyloacetonate, imidazole and thiolate ligands: Crystal structure of a zinc complex of relevance to farnesyl transferase
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60. Structure of the First-Shell Active Site in Metallolactamase: Effect of Water Ligands
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61. Automatically Constructed Neural Network Potentials for Molecular Dynamics Simulation of Zinc Proteins
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62. A Theoretical Study of Imidazole- and Thiol-Based Zinc Binding Groups Relevant to Inhibition of Metzincins
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63. Fast Ion-Chelate Dissociation Rate for In Vivo MRI of Labile Zinc with Frequency-Specific Encodability
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64. Crystal Structures of Blasticidin S Deaminase (BSD)
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65. The inhibitory binding site(s) of Zn2+ in cytochrome c oxidase
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66. 3D Structure of Sulfolobus solfataricus Carboxypeptidase Developed by Molecular Modeling is Confirmed by Site-Directed Mutagenesis and Small Angle X-Ray Scattering
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67. Cryo-EM structure of a catalytic amyloid fibril
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68. High Potency Zinc Modulation of Human P2X2 Receptors and Low Potency Zinc Modulation of Rat P2X2 Receptors Share a Common Molecular Mechanism
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69. Zn(II) and Ni(II) complexes with poly-histidyl peptides derived from a snake venom
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70. Stability and Design of α-Helical Peptides
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71. Inhibition of proton-transfer steps in transhydrogenase by transition metal ions
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72. Engineered zinc‐binding sites confirm proximity and orientation of transmembrane helices I and III in the human serotonin transporter
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73. A CCCH Zinc Finger Conserved in a Replication Protein A Homolog Found in Diverse Euryarchaeotes
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74. Docking and Scoring Functions/Virtual Screening
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75. Zn2+-Binding to the Voltage-Gated Proton Channel Hv1/VSOP
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76. Assessing Structural Determinants of Zn2+ Binding to Human HV1 via Multiple MD Simulations
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77. Differential effects of Zn2+ on the kinetics and cocaine inhibition of dopamine transport by the human and rat dopamine transporters
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78. Synthesis, structural characterisation and biological activity of Zn(II) and Pd(II) complexes of 3-substituted 5-(2′-pyridyl)-1,4-benzodiazepin-2-one derivatives
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79. Position and motions of the S4 helix during opening of the Shaker potassium channel
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80. Interaction of Small Zinc Complexes with Globular Proteins and Free Tryptophan
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81. Zinc and Its Critical Role in Retinitis pigmentosa : Insights from DFT/SMD Calculations
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82. Learning to Identify Physiological and Adventitious Metal-Binding Sites in the Three-Dimensional Structures of Proteins by Following the Hints of a Deep Neural Network
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84. Molecular Modeling and Mutagenesis Reveals a Tetradentate Binding Site for Zn2+in GABAAαβ Receptors and Provides a Structural Basis for the Modulating Effect of the γ Subunit
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85. Construction of a High Affinity Zinc Binding Site in the Metabotropic Glutamate Receptor mGluR1
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86. Conformational dependence of molecular surface electrostatic potentials
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92. Opposite effects of electroporation of red blood cell membranes under the influence of zinc ions.
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93. The role of Zn2+ in shaping intracellular Ca2+ dynamics in the heart
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99. Ligand‐Exchange Processes on Solvated Zinc Cations: Water Exchange on [Zn(H2O)4(L)]2+⋅2 H2O (L=Heterocyclic Ligand)
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100. Statistical investigation of surface bound ions and further development of BION server to include p H and salt dependence
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