Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structures.
about
X-ray crystallography over the past decade for novel drug discovery - where are we heading next?Identifying and quantifying radiation damage at the atomic levelStructure of the mycobacterial ATP synthase Fo rotor ring in complex with the anti-TB drug bedaquiline.Protein structural ensembles are revealed by redefining X-ray electron density noiseThe future of crystallography in drug discovery.Improved ligand geometries in crystallographic refinement using AFITT in PHENIXA multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron densityOutcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.Fitmunk: improving protein structures by accurate, automatic modeling of side-chain conformations.Magnesium-binding architectures in RNA crystal structures: validation, binding preferences, classification and motif detection.Validation of metal-binding sites in macromolecular structures with the CheckMyMetal web server.You are lost without a map: Navigating the sea of protein structuresModels of protein-ligand crystal structures: trust, but verifyAvoidable errors in deposited macromolecular structures: an impediment to efficient data mining.Visualizing ligand molecules in Twilight electron density.The quality and validation of structures from structural genomics.Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement packageStructure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity.Unexpected features in the Protein Data Bank entries 3qd1 and 4i8e: the structural description of the binding of the serine-rich repeat adhesin GspB to host cell carbohydrate receptor is not a solved issue.Twilight reloaded: the peptide experience.The XChemExplorer graphical workflow tool for routine or large-scale protein-ligand structure determination.Continuous mutual improvement of macromolecular structure models in the PDB and of X-ray crystallographic software: the dual role of deposited experimental data.Mg2+ ions: do they bind to nucleobase nitrogens?Developments in x-ray crystallographic structure determination of biological macromolecules.An analysis of oligomerization interfaces in transmembrane proteins.FEM: feature-enhanced map.Three-dimensional structures in the design of therapeutics targeting parasitic protozoa: reflections on the past, present and future.The solvent component of macromolecular crystals.Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulinThree-dimensional structures of laccases.X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements.Validation of Protein-Ligand Crystal Structure Models: Small Molecule and Peptide Ligands.Boxes of Model Building and Visualization.Validation and extraction of molecular-geometry information from small-molecule databases.Estimation of the protein-ligand interaction energy for model building and validation.Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.Conformational energy range of ligands in protein crystal structures: The difficult quest for accurate understanding.AceDRG: a stereochemical description generator for ligands.Ligand fitting with CCP4.Automating crystallographic structure solution and refinement of protein-ligand complexes.
P2860
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P2860
Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structures.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年学术文章
@wuu
2013年学术文章
@zh
2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
@zh-my
2013年学术文章
@zh-sg
2013年學術文章
@yue
2013年學術文章
@zh-hant
name
Techniques, tools and best pra ...... deposited crystal structures.
@en
Techniques, tools and best pra ...... deposited crystal structures.
@nl
type
label
Techniques, tools and best pra ...... deposited crystal structures.
@en
Techniques, tools and best pra ...... deposited crystal structures.
@nl
prefLabel
Techniques, tools and best pra ...... deposited crystal structures.
@en
Techniques, tools and best pra ...... deposited crystal structures.
@nl
P2860
P1476
Techniques, tools and best pra ...... deposited crystal structures.
@en
P2093
Christian X Weichenberger
P2860
P304
P356
10.1107/S0907444912044423
P577
2013-01-19T00:00:00Z