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On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeation. J Gen Physiol (2004) 1.88

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Conformational substates in enzyme mechanism: the 120 K structure of alpha-lytic protease at 1.5 A resolution. Protein Sci (1997) 1.13

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A comparative analysis of the equilibrium dynamics of a designed protein inferred from NMR, X-ray, and computations. Proteins (2009) 0.89

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Molecular mimicry of substrate oxygen atoms by water molecules in the beta-amylase active site. Protein Sci (2001) 0.81

The Role of Protein-Ligand Contacts in Allosteric Regulation of the Escherichia coli Catabolite Activator Protein. J Biol Chem (2015) 0.80

Mechanism of substrate specificity in 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidases. J Struct Biol (2010) 0.80

Multistart simulated annealing refinement of the crystal structure of the 70S ribosome. Proc Natl Acad Sci U S A (2009) 0.80

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SPA: Short peptide analyzer of intrinsic disorder status of short peptides. Genes Cells (2010) 0.77

The structure of ferricytochrome c552 from the psychrophilic marine bacterium Colwellia psychrerythraea 34H. Metallomics (2014) 0.77

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Exploring the structural and functional impact of the ALK F1174L mutation using bioinformatics approach. J Mol Model (2014) 0.76

Phenotypic effects of Ehlers-Danlos syndrome-associated mutation on the FnIII domain of tenascin-X. Protein Sci (2010) 0.76

How disordered is my protein and what is its disorder for? A guide through the "dark side" of the protein universe. Intrinsically Disord Proteins (2016) 0.75

Sparse estimation for structural variability. Algorithms Mol Biol (2011) 0.75

Improving the thermostability of a fungal GH11 xylanase via site-directed mutagenesis guided by sequence and structural analysis. Biotechnol Biofuels (2017) 0.75

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The catalytic pathway of cytochrome p450cam at atomic resolution. Science (2000) 5.42

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Adjustment of conformational flexibility is a key event in the thermal adaptation of proteins. Proc Natl Acad Sci U S A (1998) 2.77

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Locating and characterizing binding sites on proteins. Nat Biotechnol (1996) 2.64

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The enolase superfamily: a general strategy for enzyme-catalyzed abstraction of the alpha-protons of carboxylic acids. Biochemistry (1996) 2.15

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Structure of the human ADP-ribosylation factor 1 complexed with GDP. Nature (1994) 2.01

Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex. Nature (1998) 2.00

Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins. Nat Struct Biol (1997) 1.96

Crystallographic analysis of the complex between triosephosphate isomerase and 2-phosphoglycolate at 2.5-A resolution: implications for catalysis. Biochemistry (1990) 1.94

Climate change and the integrity of science. Science (2010) 1.80

Structure of yeast triosephosphate isomerase at 1.9-A resolution. Biochemistry (1990) 1.78

Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analogue of the intermediate on the reaction pathway. Biochemistry (1991) 1.64

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Determination of the structure of alanine racemase from Bacillus stearothermophilus at 1.9-A resolution. Biochemistry (1997) 1.59

Mandelate racemase and muconate lactonizing enzyme are mechanistically distinct and structurally homologous. Nature (1990) 1.59

A functionally diverse enzyme superfamily that abstracts the alpha protons of carboxylic acids. Science (1995) 1.57

Enzyme crystal structure in a neat organic solvent. Proc Natl Acad Sci U S A (1993) 1.54

Mapping protein dynamics by X-ray diffraction. Prog Biophys Mol Biol (1985) 1.49

2.8-A-resolution crystal structure of an active-site mutant of aspartate aminotransferase from Escherichia coli. Biochemistry (1989) 1.47

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The refined crystal structure of subtilisin Carlsberg at 2.5 A resolution. Protein Eng (1988) 1.28

Electrophilic catalysis in triosephosphate isomerase: the role of histidine-95. Biochemistry (1991) 1.28

Structures of the apo- and the metal ion-activated forms of the diphtheria tox repressor from Corynebacterium diphtheriae. Proc Natl Acad Sci U S A (1995) 1.28

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A comparison between molecular dynamics and X-ray results for dissociated CO in myoglobin. Nat Struct Biol (1997) 1.26

Crystallographic studies of the mechanism of xylose isomerase. Biochemistry (1989) 1.26

Computer simulation and analysis of the reaction pathway of triosephosphate isomerase. Biochemistry (1991) 1.24

X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis. Biochemistry (1994) 1.23

Crystal structures of Escherichia coli and Salmonella typhimurium 3-isopropylmalate dehydrogenase and comparison with their thermophilic counterpart from Thermus thermophilus. J Mol Biol (1997) 1.22

Analogous inhibitors of elastase do not always bind analogously. Nat Struct Biol (1994) 1.22

Evolution of an enzyme active site: the structure of a new crystal form of muconate lactonizing enzyme compared with mandelate racemase and enolase. Proc Natl Acad Sci U S A (1998) 1.22

26-10 Fab-digoxin complex: affinity and specificity due to surface complementarity. Proc Natl Acad Sci U S A (1993) 1.22

The crystal structure of benzoylformate decarboxylase at 1.6 A resolution: diversity of catalytic residues in thiamin diphosphate-dependent enzymes. Biochemistry (1998) 1.22

Crystal structure of recombinant chicken triosephosphate isomerase-phosphoglycolohydroxamate complex at 1.8-A resolution. Biochemistry (1994) 1.21

Structures of yeast ARF2 and ARL1: distinct roles for the N terminus in the structure and function of ARF family GTPases. J Biol Chem (2001) 1.21

Methyl groups of thymine bases are important for nucleic acid recognition by DtxR. Biochemistry (2000) 1.20

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Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase. Biochemistry (1994) 1.18

Three-dimensional structure of neurotoxin a from venom of the Philippines sea snake. Proc Natl Acad Sci U S A (1977) 1.17

An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate. Biochemistry (1994) 1.16

Reaction of alanine racemase with 1-aminoethylphosphonic acid forms a stable external aldimine. Biochemistry (1998) 1.16

X-ray crystal structure of cross-linked subtilisin Carlsberg in water vs. acetonitrile. Biochem Biophys Res Commun (1994) 1.16

Triosephosphate isomerase: removal of a putatively electrophilic histidine residue results in a subtle change in catalytic mechanism. Biochemistry (1988) 1.16

Reaction of myoglobin with phenylhydrazine: a molecular doorstop. Biochemistry (1984) 1.15

Protein misfolding and temperature up-shift cause G1 arrest via a common mechanism dependent on heat shock factor in Saccharomycescerevisiae. Proc Natl Acad Sci U S A (2001) 1.14

Three-dimensional structure of murine anti-p-azophenylarsonate Fab 36-71. 1. X-ray crystallography, site-directed mutagenesis, and modeling of the complex with hapten. Biochemistry (1991) 1.14

Structure of a Michaelis complex analogue: propionate binds in the substrate carboxylate site of alanine racemase. Biochemistry (1999) 1.12