Dynamical interplay between the human high-affinity copper transporter hCtr1 and its cognate metal ion

[1]  A. Magistrato,et al.  The Conformational Plasticity of the Selectivity Filter Methionines Controls the In-Cell Cu(I) Uptake through the CTR1 transporter , 2021, bioRxiv.

[2]  J. Freed,et al.  Benchmark Test and Guidelines for DEER/PELDOR Experiments on Nitroxide-Labeled Biomolecules. , 2021, Journal of the American Chemical Society.

[3]  J. Meiler,et al.  Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER distance restraints , 2021, PLoS Comput. Biol..

[4]  W. Hubbell,et al.  DEER Analysis of GPCR Conformational Heterogeneity , 2021, Biomolecules.

[5]  E. Lehmann,et al.  Characterization of Weak Protein Domain Structure by Spin-Label Distance Distributions , 2021, Frontiers in Molecular Biosciences.

[6]  A. Magistrato,et al.  Computing metal-binding proteins for therapeutic benefit. , 2021, ChemMedChem.

[7]  D. Goldfarb,et al.  Characteristics of Gd(III) spin labels for the study of protein conformations. , 2021, Methods in enzymology.

[8]  S. Spicher,et al.  Modeling of spin-spin distance distributions for nitroxide labeled biomacromolecules. , 2020, Physical chemistry chemical physics : PCCP.

[9]  E. Bordignon,et al.  Biophysical Characterization of Pro-apoptotic BimBH3 Peptides Reveals an Unexpected Capacity for Self-Association. , 2020, Structure.

[10]  Alessandra Magistrato,et al.  All-atom simulations to studying metallodrugs/target interactions. , 2020, Current opinion in chemical biology.

[11]  H. Raghuraman,et al.  Structural Dynamics of the Paddle Motif Loop in the Activated Conformation of KvAP Voltage Sensor. , 2020, Biophysical journal.

[12]  Manman Liu,et al.  Cuprous binding promotes interaction of copper transport protein hCTR1 with cell membranes. , 2019, Chemical communications.

[13]  D. Thiele,et al.  X-ray structures of the high-affinity copper transporter Ctr1 , 2019, Nature Communications.

[14]  Gunnar Jeschke,et al.  Deep neural network processing of DEER data , 2018, Science Advances.

[15]  H. Gottlieb,et al.  Insights into the N-terminal Cu(II) and Cu(I) binding sites of the human copper transporter CTR1 , 2018, Journal of Coordination Chemistry.

[16]  Kiwon Ok,et al.  Cu(I) Disrupts the Structure and Function of the Nonclassical Zinc Finger Protein Tristetraprolin (TTP). , 2017, Inorganic chemistry.

[17]  Ben M. Webb,et al.  Comparative Protein Structure Modeling Using MODELLER , 2016, Current protocols in bioinformatics.

[18]  Pengfei Li,et al.  MCPB.py: A Python Based Metal Center Parameter Builder , 2016, J. Chem. Inf. Model..

[19]  P. Wittung-Stafshede,et al.  The C-Terminus of Human Copper Importer Ctr1 Acts as a Binding Site and Transfers Copper to Atox1 , 2016, Biophysical journal.

[20]  Thomas J Lane,et al.  MDTraj: a modern, open library for the analysis of molecular dynamics trajectories , 2014, bioRxiv.

[21]  C. Simmerling,et al.  ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB. , 2015, Journal of chemical theory and computation.

[22]  A. Shimshi,et al.  EPR spectroscopy shows that the blood carrier protein, human serum albumin, closely interacts with the N-terminal domain of the copper transporter, Ctr1. , 2015, The journal of physical chemistry. B.

[23]  Sunhwan Jo,et al.  CHARMM‐GUI Membrane Builder toward realistic biological membrane simulations , 2014, J. Comput. Chem..

[24]  Y. Moskovitz,et al.  Probing the structural flexibility of the human copper metallochaperone Atox1 dimer and its interaction with the CTR1 c-terminal domain. , 2014, The journal of physical chemistry. B.

[25]  Benjamin D. Madej,et al.  Lipid14: The Amber Lipid Force Field , 2014, Journal of chemical theory and computation.

[26]  Eduardo Perozo,et al.  Dynamics transitions at the outer vestibule of the KcsA potassium channel during gating , 2014, Proceedings of the National Academy of Sciences.

[27]  Joost VandeVondele,et al.  cp2k: atomistic simulations of condensed matter systems , 2014 .

[28]  Hongzhe Sun,et al.  Kinetics and thermodynamics of metal binding to the N-terminus of a human copper transporter, hCTR1. , 2013, Chemical communications.

[29]  J. Kaplan,et al.  Rate and Regulation of Copper Transport by Human Copper Transporter 1 (hCTR1)* , 2013, The Journal of Biological Chemistry.

[30]  Kathryn L Haas,et al.  Model peptides provide new insights into the role of histidine residues as potential ligands in human cellular copper acquisition via Ctr1. , 2011, Journal of the American Chemical Society.

[31]  Tamar Unger,et al.  Applications of the Restriction Free (RF) cloning procedure for molecular manipulations and protein expression. , 2010, Journal of structural biology.

[32]  B. Blair,et al.  The role of the N-terminus of mammalian copper transporter 1 in the cellular accumulation of cisplatin. , 2010, Biochemical pharmacology.

[33]  Christopher J. De Feo,et al.  Three-dimensional structure of the human copper transporter hCTR1 , 2009, Proceedings of the National Academy of Sciences.

[34]  R. Bitton,et al.  Distribution of guest molecules in Pluronic micelles studied by double electron electron spin resonance and small angle X-ray scattering. , 2009, Physical chemistry chemical physics : PCCP.

[35]  Joost VandeVondele,et al.  Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. , 2007, The Journal of chemical physics.

[36]  Devis Sinani,et al.  Distinct Mechanisms for Ctr1-mediated Copper and Cisplatin Transport* , 2007, Journal of Biological Chemistry.

[37]  S. Aller,et al.  A structural perspective on copper uptake in eukaryotes , 2007, BioMetals.

[38]  K. Hideg,et al.  Site-directed spin labeling measurements of nanometer distances in nucleic acids using a sequence-independent nitroxide probe , 2006, Nucleic acids research.

[39]  Stephen G Aller,et al.  Projection structure of the human copper transporter CTR1 at 6-A resolution reveals a compact trimer with a novel channel-like architecture. , 2006, Proceedings of the National Academy of Sciences of the United States of America.

[40]  Arthur Schweiger,et al.  EasySpin, a comprehensive software package for spectral simulation and analysis in EPR. , 2006, Journal of magnetic resonance.

[41]  Gerrit Groenhof,et al.  GROMACS: Fast, flexible, and free , 2005, J. Comput. Chem..

[42]  K. Franz,et al.  A Mets motif peptide found in copper transport proteins selectively binds Cu(I) with methionine-only coordination. , 2005, Inorganic chemistry.

[43]  J. Kaplan,et al.  The Mechanism of Copper Uptake Mediated by Human CTR1 , 2005, Journal of Biological Chemistry.

[44]  C. Keen,et al.  Copper, oxidative stress, and human health. , 2005, Molecular aspects of medicine.

[45]  G. Howlett,et al.  C-terminal domain of the membrane copper transporter Ctr1 from Saccharomyces cerevisiae binds four Cu(I) ions as a cuprous-thiolate polynuclear cluster: sub-femtomolar Cu(I) affinity of three proteins involved in copper trafficking. , 2004, Journal of the American Chemical Society.

[46]  A. Leech,et al.  Copper-mediated dimerization of CopZ, a predicted copper chaperone from Bacillus subtilis. , 2002, The Biochemical journal.

[47]  D. Thiele,et al.  Biochemical and Genetic Analyses of Yeast and Human High Affinity Copper Transporters Suggest a Conserved Mechanism for Copper Uptake* , 2002, The Journal of Biological Chemistry.

[48]  Linda Columbus,et al.  A new spin on protein dynamics. , 2002, Trends in biochemical sciences.

[49]  D. Thiele,et al.  Biochemical Characterization of the Human Copper Transporter Ctr1* , 2002, The Journal of Biological Chemistry.

[50]  A. Rosenzweig,et al.  Copper delivery by metallochaperone proteins. , 2001, Accounts of chemical research.

[51]  Mark A. Ratner,et al.  6-31G * basis set for atoms K through Zn , 1998 .

[52]  Bing Zhou,et al.  hCTR1: a human gene for copper uptake identified by complementation in yeast. , 1997, Proceedings of the National Academy of Sciences of the United States of America.

[53]  P. Schultz,et al.  Site-specific incorporation of biophysical probes into proteins. , 1994, Proceedings of the National Academy of Sciences of the United States of America.

[54]  A. Becke,et al.  Density-functional exchange-energy approximation with correct asymptotic behavior. , 1988, Physical review. A, General physics.

[55]  Parr,et al.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.

[56]  S. H. Vosko,et al.  Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis , 1980 .

[57]  Y. Tsvetkov,et al.  Instantaneous Diffusion in Electron Spin Echo , 1979 .

[58]  J. Peisach,et al.  Structural implications derived from the analysis of electron paramagnetic resonance spectra of natural and artificial copper proteins. , 1974, Archives of biochemistry and biophysics.