Published in Proc Natl Acad Sci U S A on October 10, 2006
Small molecule BDNF mimetics activate TrkB signaling and prevent neuronal degeneration in rodents. J Clin Invest (2010) 2.29
Structural biology of shared cytokine receptors. Annu Rev Immunol (2009) 2.27
Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'. Nature (2012) 2.08
Antibodies to Interleukin-2 Elicit Selective T Cell Subset Potentiation through Distinct Conformational Mechanisms. Immunity (2015) 1.57
Quantifying Correlations Between Allosteric Sites in Thermodynamic Ensembles. J Chem Theory Comput (2009) 1.45
HotPoint: hot spot prediction server for protein interfaces. Nucleic Acids Res (2010) 1.30
The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins. Nat Protoc (2015) 1.26
Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods. PLoS Comput Biol (2010) 1.24
A simple model of backbone flexibility improves modeling of side-chain conformational variability. J Mol Biol (2008) 1.23
A novel class of small molecule inhibitors of Hsp90. ACS Chem Biol (2008) 1.19
Features of protein-protein interactions that translate into potent inhibitors: topology, surface area and affinity. Expert Rev Mol Med (2012) 1.18
KFC Server: interactive forecasting of protein interaction hot spots. Nucleic Acids Res (2008) 1.16
Exploring the capacity of minimalist protein interfaces: interface energetics and affinity maturation to picomolar KD of a single-domain antibody with a flat paratope. J Mol Biol (2007) 1.13
The overlap of small molecule and protein binding sites within families of protein structures. PLoS Comput Biol (2010) 1.12
Computational prediction of protein hot spot residues. Curr Pharm Des (2012) 1.11
A single-domain llama antibody potently inhibits the enzymatic activity of botulinum neurotoxin by binding to the non-catalytic alpha-exosite binding region. J Mol Biol (2010) 1.10
The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12. J Mol Biol (2008) 1.04
Cytokine-receptor interactions as drug targets. Curr Opin Chem Biol (2010) 0.98
Differences between high- and low-affinity complexes of enzymes and nonenzymes. J Med Chem (2008) 0.97
Structural insight into the kinetics and DeltaCp of interactions between TEM-1 beta-lactamase and beta-lactamase inhibitory protein (BLIP). J Biol Chem (2008) 0.97
Potential pharmacological chaperones targeting cancer-associated MCL-1 and Parkinson disease-associated α-synuclein. Proc Natl Acad Sci U S A (2014) 0.95
Non-peptidic thrombospondin-1 mimics as fibroblast growth factor-2 inhibitors: an integrated strategy for the development of new antiangiogenic compounds. J Biol Chem (2010) 0.94
Novel peptide ligands of RGS4 from a focused one-bead, one-compound library. Chem Biol Drug Des (2008) 0.94
Small molecules, big targets: drug discovery faces the protein-protein interaction challenge. Nat Rev Drug Discov (2016) 0.93
Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion. J Chem Theory Comput (2012) 0.93
Alignment of non-covalent interactions at protein-protein interfaces. PLoS One (2008) 0.93
Insights into cytokine-receptor interactions from cytokine engineering. Annu Rev Immunol (2014) 0.87
Screening Outside the Catalytic Site: Inhibition of Macromolecular Inter-actions Through Structure-Based Virtual Ligand Screening Experiments. Open Biochem J (2008) 0.86
Deregulations in the cyclin-dependent kinase-9-related pathway in cancer: implications for drug discovery and development. ISRN Oncol (2013) 0.84
A peptoid antagonist of VEGF receptor 2 recognizes a 'hotspot' in the extracellular domain distinct from the hormone-binding site. Bioorg Med Chem (2008) 0.83
Template-induced macrocycle diversity through large ring-forming alkylations of tryptophan. Tetrahedron (2013) 0.79
Thrombospondin-1 as a Paradigm for the Development of Antiangiogenic Agents Endowed with Multiple Mechanisms of Action. Pharmaceuticals (Basel) (2010) 0.78
Resolving hot spots in the C-terminal dimerization domain that determine the stability of the molecular chaperone Hsp90. PLoS One (2014) 0.76
Fractal Dimensions of Macromolecular Structures. Mol Inform (2014) 0.76
Oncogenic Signaling Adaptor Proteins. J Genet Genomics (2015) 0.75
Prospects on strategies for therapeutically targeting oncogenic regulatory factors by small-molecule agents. J Cell Biochem (2014) 0.75
Arginine mimetics using α-guanidino acids: introduction of functional groups and stereochemistry adjacent to recognition guanidiniums in peptides. Chembiochem (2011) 0.75
Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade. Cell Discov (2017) 0.75
A compound-based computational approach for the accurate determination of hot spots. Protein Sci (2013) 0.75
The CCP4 suite: programs for protein crystallography. Acta Crystallogr D Biol Crystallogr (1994) 187.88
Rapid and efficient site-specific mutagenesis without phenotypic selection. Proc Natl Acad Sci U S A (1985) 68.48
Electrostatics of nanosystems: application to microtubules and the ribosome. Proc Natl Acad Sci U S A (2001) 42.14
In vivo activation of the p53 pathway by small-molecule antagonists of MDM2. Science (2004) 24.42
An inhibitor of Bcl-2 family proteins induces regression of solid tumours. Nature (2005) 22.40
The atomic structure of protein-protein recognition sites. J Mol Biol (1999) 12.63
A hot spot of binding energy in a hormone-receptor interface. Science (1995) 10.41
High-resolution epitope mapping of hGH-receptor interactions by alanine-scanning mutagenesis. Science (1989) 8.73
Small-molecule inhibitors of protein-protein interactions: progressing towards the dream. Nat Rev Drug Discov (2004) 7.84
Ligand efficiency: a useful metric for lead selection. Drug Discov Today (2004) 6.60
Unraveling hot spots in binding interfaces: progress and challenges. Curr Opin Struct Biol (2002) 6.06
Functional mimicry of a protein hormone by a peptide agonist: the EPO receptor complex at 2.8 A. Science (1996) 5.19
The maximal affinity of ligands. Proc Natl Acad Sci U S A (1999) 3.24
Phage display for selection of novel binding peptides. Methods Enzymol (2000) 2.78
Structure of the quaternary complex of interleukin-2 with its alpha, beta, and gammac receptors. Science (2005) 2.64
Binding in the growth hormone receptor complex. Proc Natl Acad Sci U S A (1996) 2.48
Proteinminus signProtein Interactions: Interface Structure, Binding Thermodynamics, and Mutational Analysis. Chem Rev (1997) 2.32
Binding of small molecules to an adaptive protein-protein interface. Proc Natl Acad Sci U S A (2003) 1.78
Selecting high-affinity binding proteins by monovalent phage display. Biochemistry (1991) 1.66
The structure of interleukin-2 complexed with its alpha receptor. Science (2005) 1.53
High copy display of large proteins on phage for functional selections. J Mol Biol (2000) 1.11
Discovery of a potent small molecule IL-2 inhibitor through fragment assembly. J Am Chem Soc (2003) 1.11
Definition and spatial location of mouse interleukin-2 residues that interact with its heterotrimeric receptor. EMBO J (1993) 1.04
Potent small-molecule binding to a dynamic hot spot on IL-2. J Am Chem Soc (2003) 1.02
The role of protein dynamics in increasing binding affinity for an engineered protein-protein interaction established by H/D exchange mass spectrometry. Biochemistry (2006) 1.01
Interleukin-2 mutants with enhanced alpha-receptor subunit binding affinity. Protein Eng (2003) 0.95
Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions. J Med Chem (2004) 0.92
High affinity RNase S-peptide variants obtained by phage display have a novel "hot-spot" of binding energy. Biochemistry (2001) 0.91
Shared and unique determinants of the erythropoietin (EPO) receptor are important for binding EPO and EPO mimetic peptide. J Biol Chem (1999) 0.89
Discovery and characterization of cooperative ligand binding in the adaptive region of interleukin-2. Biochemistry (2003) 0.88
Selection of heregulin variants having higher affinity for the ErbB3 receptor by monovalent phage display. J Biol Chem (1998) 0.84
Small-molecule inhibitors of protein-protein interactions: progressing towards the dream. Nat Rev Drug Discov (2004) 7.84
Repairing research integrity. Nature (2008) 5.91
K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature (2013) 4.43
Global sequencing of proteolytic cleavage sites in apoptosis by specific labeling of protein N termini. Cell (2008) 4.00
Discovery of an allosteric site in the caspases. Proc Natl Acad Sci U S A (2004) 2.51
Sexually dimorphic neurons in the ventromedial hypothalamus govern mating in both sexes and aggression in males. Cell (2013) 2.41
Tethering: fragment-based drug discovery. Annu Rev Biophys Biomol Struct (2004) 2.37
Searching for new allosteric sites in enzymes. Curr Opin Struct Biol (2004) 2.31
A common allosteric site and mechanism in caspases. Proc Natl Acad Sci U S A (2006) 2.12
Activation of specific apoptotic caspases with an engineered small-molecule-activated protease. Cell (2010) 1.85
Caspase substrates and cellular remodeling. Annu Rev Biochem (2011) 1.79
Binding of small molecules to an adaptive protein-protein interface. Proc Natl Acad Sci U S A (2003) 1.78
Small-molecule activators of a proenzyme. Science (2009) 1.72
Nature-inspired design of motif-specific antibody scaffolds. Nat Biotechnol (2013) 1.68
Inflammatory stimuli regulate caspase substrate profiles. Mol Cell Proteomics (2010) 1.57
Turning enzymes ON with small molecules. Nat Chem Biol (2010) 1.47
Mechanistic diversity of cytokine receptor signaling across cell membranes. Sci STKE (2004) 1.42
Two-state selection of conformation-specific antibodies. Proc Natl Acad Sci U S A (2009) 1.40
An allosteric circuit in caspase-1. J Mol Biol (2008) 1.38
Global kinetic analysis of proteolysis via quantitative targeted proteomics. Proc Natl Acad Sci U S A (2012) 1.36
The DegraBase: a database of proteolysis in healthy and apoptotic human cells. Mol Cell Proteomics (2012) 1.34
Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc Natl Acad Sci U S A (2011) 1.33
Sampling the N-terminal proteome of human blood. Proc Natl Acad Sci U S A (2010) 1.28
Disulfide trapping to localize small-molecule agonists and antagonists for a G protein-coupled receptor. Proc Natl Acad Sci U S A (2005) 1.23
Global cellular response to chemotherapy-induced apoptosis. Elife (2013) 1.19
Self-assembling small molecules form nanofibrils that bind procaspase-3 to promote activation. J Am Chem Soc (2011) 1.14
Direct activation of the apoptosis machinery as a mechanism to target cancer cells. Proc Natl Acad Sci U S A (2003) 1.13
Malonate-assisted purification of human caspases. Protein Expr Purif (2005) 1.12
In situ assembly of enzyme inhibitors using extended tethering. Nat Biotechnol (2003) 1.11
Methods for the proteomic identification of protease substrates. Curr Opin Chem Biol (2009) 1.07
Prediction of protease substrates using sequence and structure features. Bioinformatics (2010) 1.04
Potent small-molecule binding to a dynamic hot spot on IL-2. J Am Chem Soc (2003) 1.02
Quantitative profiling of caspase-cleaved substrates reveals different drug-induced and cell-type patterns in apoptosis. Proc Natl Acad Sci U S A (2012) 1.02
Dissecting an allosteric switch in caspase-7 using chemical and mutational probes. J Biol Chem (2009) 1.00
Ordering a dynamic protein via a small-molecule stabilizer. J Am Chem Soc (2013) 0.97
Fibrils colocalize caspase-3 with procaspase-3 to foster maturation. J Biol Chem (2012) 0.97
Substrates of IAP ubiquitin ligases identified with a designed orthogonal E3 ligase, the NEDDylator. Mol Cell (2012) 0.97
Site-specific disulfide capture of agonist and antagonist peptides on the C5a receptor. J Biol Chem (2004) 0.96
Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design. J Med Chem (2002) 0.92
Molecules that modulate Apaf-1 activity. Med Res Rev (2010) 0.92
Tags for labeling protein N-termini with subtiligase for proteomics. Bioorg Med Chem Lett (2008) 0.91
Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc Natl Acad Sci U S A (2013) 0.91
Apo cytochrome c inhibits caspases by preventing apoptosome formation. Biochem Biophys Res Commun (2004) 0.89
Substrate and inhibitor-induced dimerization and cooperativity in caspase-1 but not caspase-3. J Biol Chem (2013) 0.82
Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis. J Biol Chem (2011) 0.81
Identification of potent and novel small-molecule inhibitors of caspase-3. Bioorg Med Chem Lett (2003) 0.78
Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. ACS Chem Biol (2016) 0.76
Computational approach to site-directed ligand discovery. Proteins (2007) 0.76
Identification of specific tethered inhibitors for caspase-5. Chem Biol Drug Des (2011) 0.76
Structure-Activity Relationship and Molecular Mechanics Reveal the Importance of Ring Entropy in the Biosynthesis and Activity of a Natural Product. J Am Chem Soc (2017) 0.75
Warren L. DeLano 21 June 1972-3 November 2009. Nat Struct Mol Biol (2009) 0.75
Regulated cell death part A: apoptotic mechanisms. Preface. Methods Enzymol (2014) 0.75
Next generation therapeutics. Curr Opin Chem Biol (2013) 0.75
Methods in Enzymology. Regulated cell death part B--necroptotic, autophagic and other non-apoptotic mechanisms. Preface. Methods Enzymol (2014) 0.75
Bi-paratopic and multivalent human VH domains neutralize SARS-CoV-2 by targeting distinct epitopes within the ACE2 binding interface of Spike. bioRxiv (2020) 0.75
Engineering luminescent biosensors for point-of-care SARS-CoV-2 antibody detection. medRxiv (2020) 0.75