Published in Angew Chem Int Ed Engl on January 01, 2009
The crystal structure of PPIL1 bound to cyclosporine A suggests a binding mode for a linear epitope of the SKIP protein. PLoS One (2010) 0.79
Multiple protein-protein interactions converging on the Prp38 protein during activation of the human spliceosome. RNA (2015) 0.77
Thermodynamics and solvent linkage of macromolecule-ligand interactions. Methods (2014) 0.76
The intervening domain from MeCP2 enhances the DNA affinity of the methyl binding domain and provides an independent DNA interaction site. Sci Rep (2017) 0.75
Substructure solution with SHELXD. Acta Crystallogr D Biol Crystallogr (2002) 27.16
ShelXle: a Qt graphical user interface for SHELXL. J Appl Crystallogr (2011) 19.21
ANODE: anomalous and heavy-atom density calculation. J Appl Crystallogr (2011) 8.79
Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Science (2008) 8.04
CASK Functions as a Mg2+-independent neurexin kinase. Cell (2008) 3.10
A NusE:NusG complex links transcription and translation. Science (2010) 3.03
Structural basis for the function of the ribosomal L7/12 stalk in factor binding and GTPase activation. Cell (2005) 2.97
Helical extension of the neuronal SNARE complex into the membrane. Nature (2009) 2.92
5-Amino-2,4,6-triiodo-isophthalic acid monohydrate. Acta Crystallogr Sect E Struct Rep Online (2008) 2.69
Ligand docking and binding site analysis with PyMOL and Autodock/Vina. J Comput Aided Mol Des (2010) 2.67
1.8 A bright-state structure of the reversibly switchable fluorescent protein Dronpa guides the generation of fast switching variants. Biochem J (2007) 2.33
Structure and mechanism of the reversible photoswitch of a fluorescent protein. Proc Natl Acad Sci U S A (2005) 2.21
Sequential N- to C-terminal SNARE complex assembly drives priming and fusion of secretory vesicles. EMBO J (2006) 2.19
Structural basis for reversible photoswitching in Dronpa. Proc Natl Acad Sci U S A (2007) 2.08
A magic triangle for experimental phasing of macromolecules. Acta Crystallogr D Biol Crystallogr (2008) 2.07
Predicting free energy changes using structural ensembles. Nat Methods (2009) 1.93
Improving radiation-damage substructures for RIP. Acta Crystallogr D Biol Crystallogr (2005) 1.80
Crystal structures of transcription factor NusG in light of its nucleic acid- and protein-binding activities. EMBO J (2002) 1.79
Scrutinizing molecular mechanics force fields on the submicrosecond timescale with NMR data. Biophys J (2010) 1.75
A reversibly photoswitchable GFP-like protein with fluorescence excitation decoupled from switching. Nat Biotechnol (2011) 1.74
Structure of a multipartite protein-protein interaction domain in splicing factor prp8 and its link to retinitis pigmentosa. Mol Cell (2007) 1.70
Mechanism of selectivity in aquaporins and aquaglyceroporins. Proc Natl Acad Sci U S A (2008) 1.67
Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone. Acta Crystallogr D Biol Crystallogr (2008) 1.64
Binding of the human Prp31 Nop domain to a composite RNA-protein platform in U4 snRNP. Science (2007) 1.64
Structure determination of the O-methyltransferase NovP using the 'free lunch algorithm' as implemented in SHELXE. Acta Crystallogr D Biol Crystallogr (2007) 1.63
A ligand-induced switch in the periplasmic domain of sensor histidine kinase CitA. J Mol Biol (2008) 1.61
Structure and function of water channels. Curr Opin Struct Biol (2002) 1.55
Is the bond-valence method able to identify metal atoms in protein structures? Acta Crystallogr D Biol Crystallogr (2002) 1.50
Structure and function of an RNase H domain at the heart of the spliceosome. EMBO J (2008) 1.49
Quaternary ammonium compounds as water channel blockers. Specificity, potency, and site of action. J Biol Chem (2006) 1.46
Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations. Biophys J (2008) 1.43
Crystal structure of a yeast aquaporin at 1.15 angstrom reveals a novel gating mechanism. PLoS Biol (2009) 1.41
Crystallographic ab initio protein structure solution below atomic resolution. Nat Methods (2009) 1.38
Structural and functional analysis of the E. coli NusB-S10 transcription antitermination complex. Mol Cell (2008) 1.37
Functional organization of the Sm core in the crystal structure of human U1 snRNP. EMBO J (2010) 1.35
Protein thermostability calculations using alchemical free energy simulations. Biophys J (2010) 1.33
Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics. J Biomol NMR (2008) 1.33
Common design principles in the spliceosomal RNA helicase Brr2 and in the Hel308 DNA helicase. Mol Cell (2009) 1.32
Computational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detail. Biophys J (2011) 1.30
Early endosomal SNAREs form a structurally conserved SNARE complex and fuse liposomes with multiple topologies. EMBO J (2006) 1.30
Does CO2 permeate through aquaporin-1? Biophys J (2006) 1.28
Crystal structure of the alkylsulfatase AtsK: insights into the catalytic mechanism of the Fe(II) alpha-ketoglutarate-dependent dioxygenase superfamily. Biochemistry (2004) 1.27
Detection of functional modes in protein dynamics. PLoS Comput Biol (2009) 1.27
Geometry-based sampling of conformational transitions in proteins. Structure (2007) 1.26
Structure and catalytic mechanism of eukaryotic selenocysteine synthase. J Biol Chem (2007) 1.26
The solution and crystal structures of a module pair from the Staphylococcus aureus-binding site of human fibronectin--a tale with a twist. J Mol Biol (2007) 1.24
Speeding up parallel GROMACS on high-latency networks. J Comput Chem (2007) 1.23
Structure of viscotoxin A3: disulfide location from weak SAD data. Acta Crystallogr D Biol Crystallogr (2003) 1.19
Automatic solution of heavy-atom substructures. Methods Enzymol (2003) 1.18
Inhibition of RNA helicase Brr2 by the C-terminal tail of the spliceosomal protein Prp8. Science (2013) 1.17
Locating the anomalous scatterer substructures in halide and sulfur phasing. Acta Crystallogr D Biol Crystallogr (2002) 1.17
The Prp8 RNase H-like domain inhibits Brr2-mediated U4/U6 snRNA unwinding by blocking Brr2 loading onto the U4 snRNA. Genes Dev (2012) 1.17
The extended loops of ribosomal proteins L4 and L22 are not required for ribosome assembly or L4-mediated autogenous control. RNA (2003) 1.17
How to get the magic triangle and the MAD triangle into your protein crystal. Acta Crystallogr Sect F Struct Biol Cryst Commun (2009) 1.16
Structural and functional investigation of a putative archaeal selenocysteine synthase. Biochemistry (2005) 1.15
Structural analysis of the PP2C phosphatase tPphA from Thermosynechococcus elongatus: a flexible flap subdomain controls access to the catalytic site. J Mol Biol (2007) 1.14
The 2A resolution crystal structure of HetL, a pentapeptide repeat protein involved in regulation of heterocyst differentiation in the cyanobacterium Nostoc sp. strain PCC 7120. J Struct Biol (2008) 1.14
Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments. Eur Biophys J (2007) 1.14
Functional dynamics in the voltage-dependent anion channel. Proc Natl Acad Sci U S A (2010) 1.13
Mechanism of hyaluronan degradation by Streptococcus pneumoniae hyaluronate lyase. Structures of complexes with the substrate. J Biol Chem (2002) 1.13
Normal modes and essential dynamics. Methods Mol Biol (2008) 1.12
5-Amino-2,4,6-tribromoisophthalic acid: the MAD triangle for experimental phasing. Acta Crystallogr C (2009) 1.11
Determinants of enzymatic specificity in the Cys-Met-metabolism PLP-dependent enzymes family: crystal structure of cystathionine gamma-lyase from yeast and intrafamiliar structure comparison. Biol Chem (2003) 1.10
Vacuolar protein sorting: two different functional states of the AAA-ATPase Vps4p. J Mol Biol (2008) 1.09
Biochemical and NMR analyses of an SF3b155-p14-U2AF-RNA interaction network involved in branch point definition during pre-mRNA splicing. RNA (2006) 1.09
Elevated plasma total homocysteine in severe methionine adenosyltransferase I/III deficiency. Metabolism (2002) 1.08
In-house measurement of the sulfur anomalous signal and its use for phasing. Acta Crystallogr D Biol Crystallogr (2003) 1.08
Structural basis for functional cooperation between tandem helicase cassettes in Brr2-mediated remodeling of the spliceosome. Proc Natl Acad Sci U S A (2012) 1.08
Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, X-ray, and neutron scattering experiments. Biophys J (2007) 1.07
Kinetics of conformational sampling in ubiquitin. Angew Chem Int Ed Engl (2011) 1.07
Alternative splicing of SNAP-25 regulates secretion through nonconservative substitutions in the SNARE domain. Mol Biol Cell (2005) 1.06
Secondary structure propensities in peptide folding simulations: a systematic comparison of molecular mechanics interaction schemes. Biophys J (2009) 1.06
Aquaporin-9 protein is the primary route of hepatocyte glycerol uptake for glycerol gluconeogenesis in mice. J Biol Chem (2011) 1.04
Ubiquitin dynamics in complexes reveal molecular recognition mechanisms beyond induced fit and conformational selection. PLoS Comput Biol (2012) 1.04
β-Barrel mobility underlies closure of the voltage-dependent anion channel. Structure (2012) 1.04
Primordial neurosecretory apparatus identified in the choanoflagellate Monosiga brevicollis. Proc Natl Acad Sci U S A (2011) 1.04
The atomistic mechanism of conformational transition in adenylate kinase: a TEE-REX molecular dynamics study. Structure (2008) 1.03
Dynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations? Handb Exp Pharmacol (2009) 1.02
Mechanism for Aar2p function as a U5 snRNP assembly factor. Genes Dev (2011) 1.01
Voltage-regulated water flux through aquaporin channels in silico. Biophys J (2010) 1.01
Conformational transitions upon ligand binding: holo-structure prediction from apo conformations. PLoS Comput Biol (2010) 1.01
Determinants of water permeability through nanoscopic hydrophilic channels. Biophys J (2009) 1.01
Labyrinthopeptins: a new class of carbacyclic lantibiotics. Angew Chem Int Ed Engl (2010) 1.01
Crystal structures of the Mnk2 kinase domain reveal an inhibitory conformation and a zinc binding site. Structure (2005) 0.99
Molecular driving forces defining lipid positions around aquaporin-0. Proc Natl Acad Sci U S A (2012) 0.99
Mitogen-activated protein kinases interacting kinases are autoinhibited by a reprogrammed activation segment. EMBO J (2006) 0.99
In-house phase determination of the lima bean trypsin inhibitor: a low-resolution sulfur-SAD case. Acta Crystallogr D Biol Crystallogr (2003) 0.99
Molecular basis of the light-driven switching of the photochromic fluorescent protein Padron. J Biol Chem (2010) 0.99
Atomic resolution structure of squash trypsin inhibitor: unexpected metal coordination. Acta Crystallogr D Biol Crystallogr (2002) 0.98
Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes. J Am Chem Soc (2010) 0.97
Extending molecular-replacement solutions with SHELXE. Acta Crystallogr D Biol Crystallogr (2013) 0.95
Toward a consensus model of the HERG potassium channel. ChemMedChem (2010) 0.95
Mobility of a one-dimensional confined file of water molecules as a function of file length. Phys Rev Lett (2006) 0.95
Practical structure solution with ARCIMBOLDO. Acta Crystallogr D Biol Crystallogr (2012) 0.95
Structural basis for the interaction of Escherichia coli NusA with protein N of phage lambda. Proc Natl Acad Sci U S A (2004) 0.94
The 4.5 A structure of human AQP2. J Mol Biol (2005) 0.94
Partial least-squares functional mode analysis: application to the membrane proteins AQP1, Aqy1, and CLC-ec1. Biophys J (2012) 0.94
Computational analysis of local membrane properties. J Comput Aided Mol Des (2013) 0.94
A designed conformational shift to control protein binding specificity. Angew Chem Int Ed Engl (2014) 0.93