FIU Discovery

Role of aspartic acid residues D87 and D89 in APS kinase domain of human 3′-phosphoadenosine 5′-phosphosulfate synthase 1 and 2b: A commonality with phosphatases/kinases

Conserved dynamic mechanism of allosteric response to l-arg in divergent bacterial arginine repressors

Sequential activation of STIM1 links Ca²⁺ with luminal domain unfolding

Crystal structure of a novel domain of the motor subunit of the Type i restriction enzyme EcoR124 involved in complex assembly and DNA binding.  JOURNAL OF BIOLOGICAL CHEMISTRY.  293:15043-15054.

A residue of motif III positions the helicase domains of motor subunit HsdR in restriction-modification enzyme EcoR124I.  JOURNAL OF MOLECULAR MODELING.  24.

Communication between N terminus and loop2 tunes Orai activation.  JOURNAL OF BIOLOGICAL CHEMISTRY.  293:1271-1285.

Transmembrane helix connectivity in Orai1 controls two gates for calcium-dependent transcription

The helical domain of the EcoR124I motor subunit participates in ATPase activity and dsDNA translocation

PHluorin-assisted expression, purification, crystallization and X-ray diffraction data analysis of the C-terminal domain of the HsdR subunit of the Escherichia coli type i restriction-modification system EcoR124I

Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.  JOURNAL OF PHYSICAL CHEMISTRY B.  120:4867-4877.

Influence of ligand binding on structure and thermostability of human α1-acid glycoprotein.  JOURNAL OF MOLECULAR RECOGNITION.  29:70-79.

Cholesterol modulates Orai1 channel function

A calcium-accumulating region, CAR, in the channel Orai1 enhances Ca²⁺ permeation and SOCE-induced gene transcription

Resonance assignment of PsbP: an extrinsic protein from photosystem II of Spinacia oleracea.  BIOMOLECULAR NMR ASSIGNMENTS.  9:341-346.

Solution NMR and molecular dynamics reveal a persistent alpha helix within the dynamic region of PsbQ from photosystem II of higher plants.  PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS.  83:1677-1686.

Functional coupling of duplex translocation to DNA cleavage in a Type I restriction enzyme

Computational study of β-N-acetylhexosaminidase from Talaromyces flavus, a glycosidase with high substrate flexibility

A refined atomic scale model of the Saccharomyces cerevisiae K⁺-translocation protein Trk1p combined with experimental evidence confirms the role of selectivity filter glycines and other key residues.  BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES.  1848:1183-1195.

Molecular dynamics comparison of E. coli WrbA apoprotein and holoprotein.  JOURNAL OF MOLECULAR MODELING.  20:1-14.

Expression, characterization and homology modeling of a novel eukaryotic GH84 β-N-acetylglucosaminidase from Penicillium chrysogenum.  PROTEIN EXPRESSION AND PURIFICATION.  95:204-210.

Binding-competent states for L-arginine in E. coli arginine repressor apoprotein.  JOURNAL OF MOLECULAR MODELING.  20.

Inhibition of glcnac-processing glycosidases by c-6-Azido-nag-thiazoline and its derivatives

Interdomain communication in the endonuclease/motor subunit of type I restriction-modification enzyme EcoR124I.  JOURNAL OF MOLECULAR MODELING.  20.

Interaction of organic solvents with protein structures at protein-solvent interface.  JOURNAL OF MOLECULAR MODELING.  19:4701-4711.

Regulation of the transient receptor potential channel TRPA1 by its N-terminal ankyrin repeat domain.  JOURNAL OF MOLECULAR MODELING.  19:4689-4700.

1.2 Å resolution crystal structure of Escherichia coli WrbA holoprotein

Expansion of Access Tunnels and Active-Site Cavities Influence Activity of Haloalkane Dehalogenases in Organic Cosolvents.  CHEMBIOCHEM.  14:890-897.

Engineering enzyme stability and resistance to an organic cosolvent by modification of residues in the access tunnel.  ANGEWANDTE CHEMIE-INTERNATIONAL EDITION.  52:1959-1963.

Structural model of lymphocyte receptor NKR-P1C revealed by mass spectrometry and molecular modeling.  ANALYTICAL CHEMISTRY.  85:1597-1604.

Raman Spectroscopy Adds Complementary Detail to the High-Resolution X-Ray Crystal Structure of Photosynthetic PsbP from Spinacia oleracea

A computational study of the oligosaccharide binding sites in the lectin-like domain of tumor necrosis factor and the TNF-derived TIP peptide.  CURRENT PHARMACEUTICAL DESIGN.  18:4236-4243.

Biphasic Kinetic Behavior of E. coli WrbA, an FMN-Dependent NAD(P)H:Quinone Oxidoreductase

Charybdotoxin and margatoxin acting on the human voltage-gated potassium channel h Kv1.3 and its H399N mutant: An experimental and computational comparison.  JOURNAL OF PHYSICAL CHEMISTRY B.  116:5132-5140.

Charybdotoxin unbinding from the mKv1.3 potassium channel: A combined computational and experimental study.  JOURNAL OF PHYSICAL CHEMISTRY B.  115:11490-11500.

Charged hexosaminides as new substrates for β-N-acetylhexosaminidase- catalyzed synthesis of immunomodulatory disaccharides.  ADVANCED SYNTHESIS & CATALYSIS.  353:2409-2420.

Enzymatic characterization and molecular modeling of an evolutionarily interesting fungal β-N-acetylhexosaminidase.  FEBS JOURNAL.  278:2469-2484.

Structural analysis of natural killer cell receptor protein 1 (NKR-P1) extracellular domains suggests a conserved long loop region involved in ligand specificity.  JOURNAL OF MOLECULAR MODELING.  17:1353-1370.

Heterologous expression, purification and characterization of nitrilase from Aspergillus niger K10

Backbone assignment and secondary structure of the PsbQ protein from Photosystem II.  BIOMOLECULAR NMR ASSIGNMENTS.  5:169-175.

The α-galactosidase type A gene aglA from Aspergillus niger encodes a fully functional α-N-acetylgalactosaminidase.  GLYCOBIOLOGY.  20:1410-1419.

4-deoxy-substrates for β-N-acetylhexosaminidases: How to make use of their loose specificity.  GLYCOBIOLOGY.  20:1002-1009.

Symmetric allosteric mechanism of hexameric Escherichia coli arginine repressor exploits competition between L-arginine ligands and resident arginine residues.  PLOS COMPUTATIONAL BIOLOGY.  6:1-12.

CRAC channel opening is determined by a series of Orai1 gating checkpoints in the transmembrane and cytosolic regions

Synergy of molecular dynamics and isothermal titration calorimetry in studies of allostery.  151-188.

Erratum: Retraction of molecular characterization of binding of calcium and carbohydrates by an early activation antigen of lymphocytes CD69 (Biochemistry (2003) 42:31 (9295-9306) DOI: 10.1021/bi027298l).  BIOCHEMISTRY. 9403.

Erratum: Combined Application of Galactose Oxidase and β-N- Acetylhexosaminidase in the Synthesis of Complex Immunoactive N-Acetyl- D galactosaminides (Advanced Synthesis and Catalysis (2005) 347 (997-1006) DOI: 10.1002 /adsc.200505041).  ADVANCED SYNTHESIS & CATALYSIS. 3514.

Retraction: Heterologous expression, purification and characterization of nitrilase from Aspergillus niger K10

Mechanistic insights into the Orai channel by molecular dynamics simulations.  50-58.

Inhibition of human serine racemase, an emerging target for medicinal chemistry.  CURRENT DRUG TARGETS. 1037-1055.