Crystallography, X-Ray Concept

subject area of

• N,N-Bis(2-mercaptoethyl)methylamine:  A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides  Journal Articles
• gem-Dialkyl Succinic Acids:  A Novel Class of Inhibitors for Carboxypeptidases  Journal Articles
• ¹²⁵I-Tetrazines and Inverse-Electron-Demand Diels–Alder Chemistry: A Convenient Radioiodination Strategy for Biomolecule Labeling, Screening, and Biodistribution Studies  Journal Articles
• A 2.13 Å Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region  Journal Articles
• A Eu^II‐Containing Cryptate as a Redox Sensor in Magnetic Resonance Imaging of Living Tissue  Journal Articles
• A New Strategy for Preparing Molecular Imaging and Therapy Agents Using Fluorine-Rich (Fluorous) Soluble Supports  Journal Articles
• A New Target for Antibiotic Development  Journal Articles
• A Small Molecule Discrimination Map of the Antibiotic Resistance Kinome  Journal Articles
• A broadly distributed toxin family mediates contact-dependent antagonism between gram-positive bacteria  Journal Articles
• A conformational landscape for alginate secretion across the outer membrane ofPseudomonas aeruginosa  Journal Articles
• A hydrocarbon ruler measures palmitate in the enzymatic acylation of endotoxin  Journal Articles
• A synthesis of 3-deoxydihydrolycoricidine: Refinement of a structurally minimum pancratistatin pharmacophore  Journal Articles
• Adenine Release Is Fast in MutY-catalyzed Hydrolysis of G:A and 8-Oxo-G:A DNA Mismatches  Journal Articles
• AlgK Is a TPR-Containing Protein and the Periplasmic Component of a Novel Exopolysaccharide Secretin  Journal Articles
• Alignment/Phylogeny of the Papain Superfamily of Cysteine Proteases  Journal Articles
• Allosteric Modulation of the Dopamine D₂ Receptor by Pro-Leu-Gly-NH₂ Peptidomimetics Constrained in Either a Polyproline II Helix or a Type II β-Turn Conformation  Journal Articles
• Allosteric Site Variants of Haemophilus influenzae β-Carbonic Anhydrase  Journal Articles
• Antibiotic resistance is ancient  Journal Articles
• Antineoplastic Agents. 362. Isolation and X-ray Crystal Structure of Dibromophakellstatin from the Indian Ocean Sponge Phakellia mauritiana  Journal Articles
• Antineoplastic Agents. 380. Isolation and X-ray Crystal Structure Determination of Isoaaptamine from the Republic of Singapore Hymeniacidon sp. and Conversion to the Phosphate Prodrug Hystatin 1  Journal Articles
• Asymmetric Synthesis of Chiral Dihydrothiopyrans via an Organocatalytic Enantioselective Formal Thio [3 + 3] Cycloaddition Reaction with Binucleophilic Bisketone Thioethers  Journal Articles
• Atypical Lone Pair–π Interaction with Quinone Methides in a Series of Imido‐Ferrociphenol Anticancer Drug Candidates  Journal Articles
• Bone recognition mechanism of porcine osteocalcin from crystal structure  Journal Articles
• CSL311, a novel, potent, therapeutic monoclonal antibody for the treatment of diseases mediated by the common β chain of the IL-3, GM-CSF and IL-5 receptors  Journal Articles
• Carboranes as Ligands for the Preparation of Organometallic Tc and Re Radiopharmaceuticals. Synthesis of [M(CO)₃(η⁵-2,3-C₂B₉H₁₁)]^- and rac-[M(CO)₃(η⁵-2-R-2,3-C₂B₉H₁₀)]^- (M = Re, ⁹⁹Tc; R = CH₂CH₂CO₂H) from [M(CO)₃Br₃]^2-  Journal Articles
• Catalytic Residues and an Electrostatic Sandwich That Promote Enolpyruvyl Shikimate 3-Phosphate Synthase (AroA) Catalysis  Journal Articles
• Comparing quantum-chemical calculation methods for structural investigation of zeolite crystal structures by solid-state NMR spectroscopy  Journal Articles
• Conformational flexibility of human ribokinase captured in seven crystal structures.  Journal Articles
• Conservation and variability of the pore-lining helices in P-loop channels  Journal Articles
• Crystal Structure and Physical Properties of a New CuTi₂S₄ Modification in Comparison to the Thiospinel  Journal Articles
• Crystal Structure of Homoserine Transacetylase from Haemophilus influenzae Reveals a New Family of α/β-Hydrolases^,  Journal Articles
• Crystal Structure of StaL, a Glycopeptide Antibiotic Sulfotransferase from Streptomyces toyocaensis  Journal Articles
• Crystal Structure of the Passenger Domain of the Escherichia coli Autotransporter EspP  Journal Articles
• Crystal Structure of the Streptomyces coelicolor Sortase E1 Transpeptidase Provides Insight into the Binding Mode of the Novel Class E Sorting Signal  Journal Articles
• Crystal structure of CTP:glycerol-3-phosphate cytidylyltransferase from Staphylococcus aureus: Examination of structural basis for kinetic mechanism  Journal Articles
• Crystal structure of an aminoglycoside 6'-N-acetyltransferase: defining the GCN5-related N-acetyltransferase superfamily fold  Journal Articles
• Crystal structure of cGMP‐dependent protein kinase Iβ cyclic nucleotide‐binding‐B domain : Rp‐cGMPS complex reveals an apo‐like, inactive conformation  Journal Articles
• Crystal structure of the hydrogenase maturating endopeptidase HYBD from Escherichia coli  Journal Articles
• Crystal structures of homoserine dehydrogenase suggest a novel catalytic mechanism for oxidoreductases  Journal Articles
• Crystallization Force—A Density Functional Theory Concept for Revealing Intermolecular Interactions and Molecular Packing in Organic Crystals  Journal Articles
• Crystallization and preliminary X-ray crystallographic analysis of the tetracycline-degrading monooxygenase TetX2 fromBacteroides thetaiotaomicron  Journal Articles
• Crystallization and preliminary X-ray diffraction analysis of the human XRCC4–XLF complex  Journal Articles
• Crystallization and preliminary X-ray diffraction studies of glycerol 3-phosphate cytidylyltransferase fromStaphylococcus aureus  Journal Articles
• Crystallographic analysis of Staphylococcus aureus LcpA, the primary wall teichoic acid ligase  Journal Articles
• Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis  Journal Articles
• Design and synthesis of site directed maleimide bifunctional chelators for technetium and rhenium  Journal Articles
• Design, Synthesis, X-ray Analysis, and Dopamine Receptor-Modulating Activity of Mimics of the "C5" Hydrogen-Bonded Conformation in the Peptidomimetic 2-Oxo-3(R)-[(2(S)-pyrrolidinylcarbonyl)amino]-1-pyrrolidineacetamide  Journal Articles
• Development of New Deoxycytidine Kinase Inhibitors and Noninvasive in Vivo Evaluation Using Positron Emission Tomography  Journal Articles
• Diels-Alder Additions as Mechanistic Probes–Interception of Silyl-Isoindenes: Organometallic Derivatives of Polyphenylated Cycloheptatrienes and Related Seven-Membered Rings  Journal Articles
• Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa  Journal Articles
• Dimerization and interactions of Brucella suis VirB8 with VirB4 and VirB10 are required for its biological activity  Journal Articles
• Distinct surfaces on Cdc5/PLK Polo-box domain orchestrate combinatorial substrate recognition during cell division  Journal Articles
• Enzyme-assisted suicide: molecular basis for the antifungal activity of 5-hydroxy-4-oxonorvaline by potent inhibition of homoserine dehydrogenase  Journal Articles
• Evidence for Allosteric Linkage between Exosites 1 and 2 of Thrombin  Journal Articles
• Evidence for the presence of key chlorophyll-biosynthesis-related proteins in the genus Rubrobacter (Phylum Actinobacteria) and its implications for the evolution and origin of photosynthesis  Journal Articles
• Evidence of Kinetic Control of Ligand Binding and Staged Product Release in MurA (Enolpyruvyl UDP-GlcNAc Synthase)-Catalyzed Reactions,  Journal Articles
• Expression, purification, crystallization and preliminary X-ray analysis ofPseudomonas aeruginosaPelD  Journal Articles
• Expression, purification, crystallization and preliminary X-ray analysis ofPseudomonas fluorescensAlgK  Journal Articles
• Expression, refolding, crystallization and preliminary X-ray analysis ofPseudomonas aeruginosaAlgE  Journal Articles
• Facile Construction of Structurally Diverse Thiazolidinedione-Derived Compounds via Divergent Stereoselective Cascade Organocatalysis and Their Biological Exploratory Studies  Journal Articles
• Fluorous Analogue of Chloramine-T: Preparation, X-ray Structure Determination, and Use as an Oxidant for Radioiodination and s-Tetrazine Synthesis  Journal Articles
• Heterologous Expression and Structural Characterisation of a Pyrazinone Natural Product Assembly Line  Journal Articles
• Human Cytochrome P450 Liability Studies of trans-Dihydronarciclasine: A Readily Available, Potent, and Selective Cancer Cell Growth Inhibitor  Journal Articles
• Ice-binding structure and mechanism of an antifreeze protein from winter flounder  Journal Articles
• Identification of Two Phosphate Starvation-induced Wall Teichoic Acid Hydrolases Provides First Insights into the Degradative Pathway of a Key Bacterial Cell Wall Component  Journal Articles
• Identification of the Binding Site of Brucella VirB8 Interaction Inhibitors  Journal Articles
• Identification, Structure, and Function of a Novel Type VI Secretion Peptidoglycan Glycoside Hydrolase Effector-Immunity Pair  Journal Articles
• Imidazole-Based [2 + 1] Re(I)/^99mTc(I) Complexes as Isostructural Nuclear and Optical Probes  Journal Articles
• In Silico Activation of KcsA K+ Channel by Lateral Forces Applied to the C-Termini of Inner Helices  Journal Articles
• Inhibitors of Bacterial Cystathionine β-Lyase:  Leads for New Antimicrobial Agents and Probes of Enzyme Structure and Function  Journal Articles
• Interaction of the BK_Cachannel gating ring with dendrotoxins  Journal Articles
• Interactions of drugs and toxins with permeant ions in potassium, sodium, and calcium channels.  Journal Articles
• Local pH-dependent conformational changes leading to proteolytic susceptibility of cystatin C  Journal Articles
• Mapping of Steroids Binding to 17β-Hydroxysteroid Dehydrogenase Type 1 Using Monte Carlo Energy Minimization Reveals Alternative Binding Modes  Journal Articles
• Metal-Induced Isomerization Yields an Intracellular Chelator that Disrupts Bacterial Iron Homeostasis  Journal Articles
• Modeling P-Loops Domain of Sodium Channel: Homology with Potassium Channels and Interaction with Ligands  Journal Articles
• Molecular Basis for Immunity Protein Recognition of a Type VII Secretion System Exported Antibacterial Toxin  Journal Articles
• Molecular structure and physicochemical properties of potato and bean starches as affected by gamma-irradiation  Journal Articles
• Mono and dinuclear areneruthenium(ii) triazoles by 1,3-dipolar cycloadditions to a coordinated azide in ruthenium(ii) compounds  Journal Articles
• Monte Carlo-minimized energy profile of estradiol in the ligand-binding tunnel of 17?-hydroxysteroid dehydrogenase: Atomic mechanisms of steroid recognition  Journal Articles
• Multiple conformations facilitate PilT function in the type IV pilus  Journal Articles
• NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB  Journal Articles
• New phenolic inhibitors of yeast homoserine dehydrogenase  Journal Articles
• Noncanonical protein kinase A activation by oligomerization of regulatory subunits as revealed by inherited Carney complex mutations  Journal Articles
• Novel disease-causing mutations in the dihydropyrimidine dehydrogenase gene interpreted by analysis of the three-dimensional protein structure  Journal Articles
• Oligomeric lipoprotein PelC guides Pel polysaccharide export across the outer membrane of Pseudomonas aeruginosa  Journal Articles
• Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity  Journal Articles
• PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM  Journal Articles
• Possible Roles of Exceptionally Conserved Residues around the Selectivity Filters of Sodium and Calcium Channels  Journal Articles
• Potent Inhibition of 3-Deoxy-d-arabinoheptulosonate-7-phosphate (DAHP) Synthase by DAHP Oxime, a Phosphate Group Mimic  Journal Articles
• Preparation and Evaluation of Carborane Analogues of Tamoxifen  Journal Articles
• Preparation and X-ray crystallographic analysis of recombinant obelin crystals diffracting to beyond 1.1 Å  Journal Articles
• Preparation and X-ray crystallographic analysis of the Ca²⁺-discharged photoprotein obelin  Journal Articles
• Preparation and preliminary study of crystals of the recombinant calcium-regulated photoprotein obelin from the bioluminescent hydroid Obelia longissima  Journal Articles
• Preparation, Characterization, and Screening of a High Affinity Organometallic Probe for α-Adrenergic Receptors  Journal Articles
• Pseudomonas aeruginosa Minor Pilins Prime Type IVa Pilus Assembly and Promote Surface Display of the PilY1 Adhesin  Journal Articles
• Real-space localization and quantification of hole distribution in chain-ladder Sr ₃ Ca ₁₁ Cu ₂₄ O ₄₁ superconductor  Journal Articles
• Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT Domain  Journal Articles
• Re‐engineering the Immune Response to Metastatic Cancer: Antibody‐Recruiting Small Molecules Targeting the Urokinase Receptor  Journal Articles
• Rifampin phosphotransferase is an unusual antibiotic resistance kinase  Journal Articles
• Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation  Journal Articles
• Role of aromatic substituents on the antiproliferative effects of diphenyl ferrocenyl butene compounds  Journal Articles
• Rotational Symmetry of Two Pyrethroid Receptor Sites in the Mosquito Sodium Channel  Journal Articles
• Short-Range Order and Collective Dynamics of DMPC Bilayers: A Comparison between Molecular Dynamics Simulations, X-Ray, and Neutron Scattering Experiments  Journal Articles
• Side chain flexibility and the pore dimensions in the GABAA receptor  Journal Articles
• Single Crystals of a Type III Antifreeze Polypeptide from Ocean Pout  Journal Articles
• Spatial structure of the novel light-sensitive photoprotein berovin from the ctenophore Beroe abyssicola in the Ca2+-loaded apoprotein conformation state  Journal Articles
• Strategies to Query and Display Allergy-Derived Epitope Data from the Immune Epitope Database  Journal Articles
• Streptomyces IHF uses multiple interfaces to bind DNA  Journal Articles
• Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I  Journal Articles
• Structural Characterization of Novel Pseudomonas aeruginosa Type IV Pilins  Journal Articles
• Structural Characterization of a Novel Chlamydia pneumoniae Type III Secretion-Associated Protein, Cpn0803  Journal Articles
• Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria  Journal Articles
• Structural Insights into the Regulation of Foreign Genes in Salmonella by the Hha/H-NS Complex  Journal Articles
• Structural and Functional Plasticity of Antibiotic Resistance Nucleotidylyltransferases Revealed by Molecular Characterization of Lincosamide Nucleotidylyltransferases Lnu(A) and Lnu(D)  Journal Articles
• Structural and Functional Studies of the Pseudomonas aeruginosa Minor Pilin, PilE  Journal Articles
• Structural and Kinetic Characterization of the LPS Biosynthetic Enzyme d-α,β-d-Heptose-1,7-bisphosphate Phosphatase (GmhB) from Escherichia coli,  Journal Articles
• Structural and Molecular Basis for Resistance to Aminoglycoside Antibiotics by the Adenylyltransferase ANT(2″)-Ia  Journal Articles
• Structural and phylogenetic analysis of a conserved actinobacteria-specific protein (ASP1; SCO1997) from Streptomyces coelicolor  Journal Articles
• Structural basis for a new tetracycline resistance mechanism relying on the TetX monooxygenase  Journal Articles
• Structural basis for streptogramin B resistance in Staphylococcus aureus by virginiamycin B lyase  Journal Articles
• Structural–Functional Studies of Burkholderia cenocepacia d-Glycero-β-d-manno-heptose 7-Phosphate Kinase (HldA) and Characterization of Inhibitors with Antibiotic Adjuvant and Antivirulence Properties  Journal Articles
• Structure and Function of Sedoheptulose-7-phosphate Isomerase, a Critical Enzyme for Lipopolysaccharide Biosynthesis and a Target for Antibiotic Adjuvants  Journal Articles
• Structure and Function of the Glycopeptide N-methyltransferase MtfA, a Tool for the Biosynthesis of Modified Glycopeptide Antibiotics  Journal Articles
• Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid β-glycosyltransferase Involved in Methicillin Resistance  Journal Articles
• Structure and mechanism of TagA, a novel membrane-associated glycosyltransferase that produces wall teichoic acids in pathogenic bacteria  Journal Articles
• Structure of human phosphatidylcholine transfer protein in complex with its ligand.  Journal Articles
• Structure of the Cytoplasmic Region of PelD, a Degenerate Diguanylate Cyclase Receptor That Regulates Exopolysaccharide Production in Pseudomonas aeruginosa  Journal Articles
• Structure of the bacterial teichoic acid polymerase TagF provides insights into membrane association and catalysis  Journal Articles
• Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis  Journal Articles
• Syntheses and Multi-NMR Study offac- andmer-OsO₃F₂(NCCH₃) and the X-ray Crystal Structure (n= 2) and Raman Spectrum (n= 0) offac-OsO₃F₂(NCCH₃)·nCH₃CN  Journal Articles
• Synthesis and Dopamine Receptor Modulating Activity of Novel Peptidomimetics ofl-Prolyl-l-leucyl-glycinamide Featuring α,α-Disubstituted Amino Acids  Journal Articles
• Synthesis and Dopamine Receptor Modulating Activity of Substituted Bicyclic Thiazolidine Lactam Peptidomimetics of l-Prolyl-l-leucyl-glycinamide  Journal Articles
• Synthesis and Screening of Mono- and Di-Aryl Technetium and Rhenium Metallocarboranes. A New Class of Probes for the Estrogen Receptor  Journal Articles
• Synthesis and Structure–Activity Relationships of the First Ferrocenyl-Aryl-Hydantoin Derivatives of the Nonsteroidal Antiandrogen Nilutamide  Journal Articles
• Synthesis of Ortho- and Meta-Re(I)-Metallocarboranes in Water  Journal Articles
• Synthesis of the Western Half of the Lolicines and Lolitrems  Journal Articles
• Synthesis, NMR, and X-ray Crystallographic Analysis of C-Hydrazino-C-Carboxycarboranes:  Versatile Ligands for the Preparation of BNCT and BNCS Agents and ^99mTc Radiopharmaceuticals  Journal Articles
• Synthesis, characterization, structure, molecular modeling studies and biological activity of sterically crowded Pt(II) complexes containing bis(imidazole) ligands  Journal Articles
• Synthesis, oxidation chemistry and cytotoxicity studies on ferrocene derivatives of diethylstilbestrol  Journal Articles
• The Conserved Tetratricopeptide Repeat-Containing C-Terminal Domain of Pseudomonas aeruginosa FimV Is Required for Its Cyclic AMP-Dependent and -Independent Functions  Journal Articles
• The Effect of Benzannulation on the Structures, Reactivity and Molecular Dynamics of Indenes, Pentalenes, Azulenes and Related Molecules  Journal Articles
• The Mechanism of Protein Crystal Growth from Lipid Layers  Journal Articles
• The OsO₄F^-, OsO₄F₂^2-, and OsO₃F₃^- Anions, Their Study by Vibrational and NMR Spectroscopy and Density Functional Theory Calculations, and the X-ray Crystal Structures of [N(CH₃)₄][OsO₄F] and [N(CH₃)₄][OsO₃F₃]  Journal Articles
• The Structure- and Metal-dependent Activity of Escherichia coli PgaB Provides Insight into the Partial De-N-acetylation of Poly-β-1,6-N-acetyl-d-glucosamine  Journal Articles
• The membrane bound bacterial lipocalin Blc is a functional dimer with binding preference for lysophospholipids  Journal Articles
• The solution structure of Lac repressor headpiece 62 complexed to a symmetrical lac operator  Journal Articles
• The structure of the apo cAMP‐binding domain of HCN4 – a stepping stone toward understanding the cAMP‐dependent modulation of the hyperpolarization‐activated cyclic‐nucleotide‐gated ion channels  Journal Articles
• Total Synthesis of (±)-Mersicarpine  Journal Articles
• Transition-State Analysis of the DNA Repair Enzyme MutY  Journal Articles
• {Re^IIICl₃} Core Complexes with Bifunctional Single Amino Acid Chelates  Journal Articles