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141 peer-reviewed articles • 18,861 peer-reviewed citations • Sorted by year • Download PDF (PDF by citations)
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1Structure-guided design of partial agonists at an opioid receptor
Nature Communications, 2025, 16, 2518
11.019Citations (PDF)
2Synthesis and Pharmacology of a Morphinan-Derived Dual Mu–Kappa Opioid Receptor Agonist Analgesic
ACS Chemical Neuroscience, 2025, 16, 2714-2737
2.83Citations (PDF)
3Novel Tetraolefinic Chain Phenyl Substituted Endocannabinoid Probes
Journal of Medicinal Chemistry, 2025, 68, 13376-13392
4.81Citations (PDF)
4Development of an automated, high-throughput assay to detect angiotensin AT-receptor agonistic compounds by nitric oxide measurements
Peptides, 2024, 172, 171137
2.05Citations (PDF)
5Constitutive activation mechanism of a class C GPCR6.013Citations (PDF)
6Detection of autism spectrum disorder-related pathogenic trio variants by a novel structure-based approach
Molecular Autism, 2024, 15, 1-15
2.77Citations (PDF)
7Virtual Screening of a Chemically Diverse “Superscaffold” Library Enables Ligand Discovery for a Key GPCR Target
ACS Chemical Biology, 2024, 19, 866-874
2.527Citations (PDF)
8Scalable computation of anisotropic vibrations for large macromolecular assemblies
Nature Communications, 2024, 15, 1-16
11.01Citations (PDF)
9Chiral Me-2-arachidonoyl Glycerols: The First Potent Endocannabinoid Glyceride Templates with Stability to COX-22.16Citations (PDF)
10A bitopic agonist bound to the dopamine 3 receptor reveals a selectivity site
Nature Communications, 2024, 15, 1-13
11.024Citations (PDF)
11Oxa-Iboga alkaloids lack cardiac risk and disrupt opioid use in animal models
Nature Communications, 2024, 15, 1-21
11.022Citations (PDF)
12Development of Calcium-Dependent Phospholipase A2 Inhibitors to Target Cellular Senescence and Oxidative Stress in Neurodegenerative Diseases4.221Citations (PDF)
13Structural insights into the high basal activity and inverse agonism of the orphan receptor GPR6 implicated in Parkinson’s disease
Science Signaling, 2024, 17, eado8741
3.922Citations (PDF)
14Eosinophils protect pressure overload- and β-adrenoreceptor agonist-induced cardiac hypertrophy.
Cardiovascular Research, 2023, 119, 195-212
5.725Citations (PDF)
15Pharmacological Mechanism of the Non-hallucinogenic 5-HT2A Agonist Ariadne and Analogs
ACS Chemical Neuroscience, 2023, 14, 119-135
2.868Citations (PDF)
16Structural details of a Class B GPCR-arrestin complex revealed by genetically encoded crosslinkers in living cells
Nature Communications, 2023, 14, 1-13
11.048Citations (PDF)
17Molecular mechanism of biased signaling at the kappa opioid receptor
Nature Communications, 2023, 14, 1-13
11.096Citations (PDF)
18Structural insights into angiotensin receptor signaling modulation by balanced and biased agonists
EMBO Journal, 2023, 42, e112940
5.250Citations (PDF)
19Computational approaches streamlining drug discovery
Nature, 2023, 616, 673-685
31.81,240Citations (PDF)
20Ligand and G-protein selectivity in the κ-opioid receptor
Nature, 2023, 617, 417-425
31.883Citations (PDF)
21Pharmacological and Physicochemical Properties Optimization for Dual-Target Dopamine D3 (D3R) and μ-Opioid (MOR) Receptor Ligands as Potentially Safer Analgesics
Journal of Medicinal Chemistry, 2023, 66, 10304-10341
4.816Citations (PDF)
22Schizophrenia-associated SAP97 mutations increase glutamatergic synapse strength in the dentate gyrus and impair contextual episodic memory in rats
Nature Communications, 2022, 13, 1-16
11.025Citations (PDF)
23Structural basis of GABA reuptake inhibition
Nature, 2022, 606, 820-826
31.8129Citations (PDF)
24Inactive and active state structures template selective tools for the human 5-HT5A receptor6.028Citations (PDF)
25Inhibition of the angiotensin II type 2 receptor AT2R is a novel therapeutic strategy for glioblastoma5.328Citations (PDF)
26Germline selection of PTPN11 (HGNC:9644) variants make a major contribution to both Noonan syndrome's high birth rate and the transmission of sporadic cancer variants resulting in fetal abnormality
Human Mutation, 2022, 43, 2205-2221
1.08Citations (PDF)
27Structure-based design of bitopic ligands for the µ-opioid receptor
Nature, 2022, 613, 767-774
31.8133Citations (PDF)
28Optical Control of Cannabinoid Receptor 2-Mediated Ca2+ Release Enabled by Synthesis of Photoswitchable Probes12.256Citations (PDF)
29Structural insights on ligand recognition at the human leukotriene B4 receptor 1
Nature Communications, 2021, 12, 1-12
11.021Citations (PDF)
30Novel Dual-Target μ-Opioid Receptor and Dopamine D3 Receptor Ligands as Potential Nonaddictive Pharmacotherapeutics for Pain Management
Journal of Medicinal Chemistry, 2021, 64, 7778-7808
4.827Citations (PDF)
31Ligand-Dependent Effects of Methionine-8 Oxidation in Parathyroid Hormone Peptide Analogues.1.97Citations (PDF)
32Chiral Cyclic Aliphatic Linkers as Building Blocks for Selective Dopamine D2 or D3 Receptor Agonists
Journal of Medicinal Chemistry, 2021, 64, 16088-16105
4.812Citations (PDF)
33Synthon-based ligand discovery in virtual libraries of over 11 billion compounds
Nature, 2021, 601, 452-459
31.8410Citations (PDF)
34Structure-Based Virtual Screening of Ultra-Large Library Yields Potent Antagonists for a Lipid GPCR
Biomolecules, 2020, 10, 1634
3.130Citations (PDF)
35Structural basis of the activation of a metabotropic GABA receptor
Nature, 2020, 584, 298-303
31.8143Citations (PDF)
36Biased Signaling of the G-Protein-Coupled Receptor β2AR Is Governed by Conformational Exchange Kinetics
Structure, 2020, 28, 371-377.e3
2.558Citations (PDF)
37O-GlcNAc Engineering of GPCR Peptide-Agonists Improves Their Stability and in Vivo Activity12.245Citations (PDF)
38Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs
Science Advances, 2019, 5, eaax2518
8.2110Citations (PDF)
39Harnessing Ion-Binding Sites for GPCR Pharmacology
Pharmacological Reviews, 2019, 71, 571-595
10.7126Citations (PDF)
40Structural basis of ligand recognition at the human MT1 melatonin receptor
Nature, 2019, 569, 284-288
31.8192Citations (PDF)
41XFEL structures of the human MT2 melatonin receptor reveal the basis of subtype selectivity
Nature, 2019, 569, 289-292
31.8138Citations (PDF)
42Computational design for thermostabilization of GPCRs4.813Citations (PDF)
43Elucidating the active δ-opioid receptor crystal structure with peptide and small-molecule agonists
Science Advances, 2019, 5, eaax9115
8.2132Citations (PDF)
44Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors
Nature Communications, 2019, 10, 1-9
11.071Citations (PDF)
45Exploring Pairwise Chemical Crosslinking To Study Peptide–Receptor Interactions
ChemBioChem, 2019, 20, 683-692
1.97Citations (PDF)
46Crystal Structure of the Human Cannabinoid Receptor CB2
Cell, 2019, 176, 459-467.e13
23.8382Citations (PDF)
47A Thieno[2,3-d]pyrimidine Scaffold Is a Novel Negative Allosteric Modulator of the Dopamine D2 Receptor4.830Citations (PDF)
485-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology
Cell, 2018, 172, 719-730.e14
23.8236Citations (PDF)
49Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling
Structure, 2018, 26, 259-269.e5
2.5177Citations (PDF)
50Intracellular Transfer of Na+ in an Active-State G-Protein-Coupled Receptor
Structure, 2018, 26, 171-180.e2
2.598Citations (PDF)
51Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor
Cell, 2018, 172, 55-67.e15
23.8369Citations (PDF)
52Activation Stoichiometry and Pore Architecture of TRPA1 Probed with Channel Concatemers
Scientific Reports, 2018, 8, 1-12
2.715Citations (PDF)
53People also looked at2.431Citations (PDF)
54Crystal structure of the Frizzled 4 receptor in a ligand-free state
Nature, 2018, 560, 666-670
31.8105Citations (PDF)
55Extrinsic Tryptophans as NMR Probes of Allosteric Coupling in Membrane Proteins: Application to the A2A Adenosine Receptor12.253Citations (PDF)
56Crystal structure of misoprostol bound to the labor inducer prostaglandin E2 receptor
Nature Chemical Biology, 2018, 15, 11-17
9.647Citations (PDF)
57Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor
Journal of Medicinal Chemistry, 2017, 60, 3070-3081
4.853Citations (PDF)
58Structural basis for selectivity and diversity in angiotensin II receptors
Nature, 2017, 544, 327-332
31.8207Citations (PDF)
59An autism spectrum disorder-related de novo mutation hotspot discovered in the GEF1 domain of Trio
Nature Communications, 2017, 8, 1-13
11.0117Citations (PDF)
60Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody5.363Citations (PDF)
61Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist
ACS Central Science, 2017, 3, 1329-1336
7.647Citations (PDF)
62Synthesis of Photoswitchable Δ9-Tetrahydrocannabinol Derivatives Enables Optical Control of Cannabinoid Receptor 1 Signaling12.2105Citations (PDF)
63Expression and purification of an engineered human endothelin receptor B in a monomeric form0.41Citations (PDF)
64In vitro expression and analysis of the 826 human G protein-coupled receptors
Protein and Cell, 2016, 7, 325-337
6.776Citations (PDF)
65Native phasing of x-ray free-electron laser data for a G protein–coupled receptor
Science Advances, 2016, 2, e1600292
8.2102Citations (PDF)
66Generic GPCR residue numbers – aligning topology maps while minding the gaps11.1516Citations (PDF)
67Structural basis for bifunctional peptide recognition at human δ-opioid receptor6.0177Citations (PDF)
68Single Amino Acid Variation Underlies Species-Specific Sensitivity to Amphibian Skin-Derived Opioid-like Peptides
Chemistry and Biology, 2015, 22, 764-775
2.016Citations (PDF)
69Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
Nature, 2015, 523, 561-567
31.8805Citations (PDF)
70Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information1.955Citations (PDF)
71Structure of the Angiotensin Receptor Revealed by Serial Femtosecond Crystallography
Cell, 2015, 161, 833-844
23.8377Citations (PDF)
72Sodium Ion Binding Pocket Mutations and Adenosine A2A Receptor Function
Molecular Pharmacology, 2015, 87, 305-313
2.4100Citations (PDF)
73Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 2015, 520, 317-321
31.8364Citations (PDF)
74Nucleotides Acting at P2Y Receptors: Connecting Structure and Function
Molecular Pharmacology, 2015, 88, 220-230
2.4102Citations (PDF)
75The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor
Structure, 2015, 23, 2291-2299
2.577Citations (PDF)
76Single-molecule view of basal activity and activation mechanisms of the G protein-coupled receptor β2AR5.3112Citations (PDF)
77Design, synthesis, pharmacological characterization of a fluorescent agonist of the P2Y receptor1.526Citations (PDF)
78Structural Basis for Ligand Recognition and Functional Selectivity at Angiotensin Receptor*♦
Journal of Biological Chemistry, 2015, 290, 29127-29139
1.3184Citations (PDF)
79Exploring a 2-Naphthoic Acid Template for the Structure-Based Design of P2Y14 Receptor Antagonist Molecular Probes
ACS Chemical Biology, 2014, 9, 2833-42
2.545Citations (PDF)
80Structure of a Class C GPCR Metabotropic Glutamate Receptor 1 Bound to an Allosteric Modulator
Science, 2014, 344, 58-64
26.5523Citations (PDF)
81Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography
Nature Communications, 2014, 5, 1-6
11.0577Citations (PDF)
82Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Nature, 2014, 509, 115-118
31.8391Citations (PDF)
83Allosteric sodium in class A GPCR signaling7.4523Citations (PDF)
84Molecular control of δ-opioid receptor signalling
Nature, 2014, 506, 191-196
31.8500Citations (PDF)
85Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs
Nature Communications, 2014, 5, 1-11
11.0245Citations (PDF)
86Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges
Structure, 2014, 22, 1120-1139
2.5161Citations (PDF)
87Agonist-bound structure of the human P2Y12 receptor
Nature, 2014, 509, 119-122
31.8342Citations (PDF)
88Structure of the human glucagon class B G-protein-coupled receptor
Nature, 2013, 499, 444-449
31.8373Citations (PDF)
89The Role of a Sodium Ion Binding Site in the Allosteric Modulation of the A2A Adenosine G Protein-Coupled Receptor
Structure, 2013, 21, 2175-2185
2.5143Citations (PDF)
90Chemotype-selective Modes of Action of κ-Opioid Receptor Agonists*
Journal of Biological Chemistry, 2013, 288, 34470-34483
1.366Citations (PDF)
91Structure-Based Ligand Discovery Targeting Orthosteric and Allosteric Pockets of Dopamine Receptors
Molecular Pharmacology, 2013, 84, 794-807
2.487Citations (PDF)
92Genetically Encoded Chemical Probes in Cells Reveal the Binding Path of Urocortin-I to CRF Class B GPCR
Cell, 2013, 155, 1258-1269
23.8186Citations (PDF)
93Structure-Function of the G Protein–Coupled Receptor Superfamily10.61,040Citations (PDF)
94Structure of the human smoothened receptor bound to an antitumour agent
Nature, 2013, 497, 338-343
31.8445Citations (PDF)
95Diversity and modularity of G protein-coupled receptor structures11.1457Citations (PDF)
96Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic
Nature, 2012, 485, 395-399
31.8457Citations (PDF)
97Structure of the human κ-opioid receptor in complex with JDTic
Nature, 2012, 485, 327-332
31.8874Citations (PDF)
98Optimization of Adenosine 5′-Carboxamide Derivatives as Adenosine Receptor Agonists Using Structure-Based Ligand Design and Fragment Screening
Journal of Medicinal Chemistry, 2012, 55, 4297-308
4.858Citations (PDF)
99Evaluation of Molecular Modeling of Agonist Binding in Light of the Crystallographic Structure of an Agonist-Bound A2A Adenosine Receptor4.837Citations (PDF)
100Fusion Partner Toolchest for the Stabilization and Crystallization of G Protein-Coupled Receptors
Structure, 2012, 20, 967-976
2.5485Citations (PDF)
101The GPCR Network: a large-scale collaboration to determine human GPCR structure and function47.0307Citations (PDF)
102Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H1 Receptor
Journal of Medicinal Chemistry, 2011, 54, 8195-206
4.8204Citations (PDF)
103Structure based prediction of subtype-selectivity for adenosine receptor antagonists
Neuropharmacology, 2011, 60, 108-115
3.184Citations (PDF)
104Structure of an Agonist-Bound Human A2A Adenosine Receptor
Science, 2011, 332, 322-7
26.5822Citations (PDF)
105High Resolution Structure of the ba3 Cytochrome c Oxidase from Thermus thermophilus in a Lipidic Environment
PLoS ONE, 2011, 6, e22348
1.5113Citations (PDF)
106Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment
Structure, 2011, 19, 1108-1126
2.5278Citations (PDF)
107Ligand-Dependent Perturbation of the Conformational Ensemble for the GPCR β2 Adrenergic Receptor Revealed by HDX
Structure, 2011, 19, 1424-1432
2.5145Citations (PDF)
108Structure of the human histamine H1 receptor complex with doxepin
Nature, 2011, 475, 65-70
31.8795Citations (PDF)
109Structure-Based Discovery of Novel Chemotypes for Adenosine A2A Receptor Antagonists
Journal of Medicinal Chemistry, 2010, 53, 1799-809
4.8241Citations (PDF)
110GPCR 3D homology models for ligand screening: Lessons learned from blind predictions of adenosine A2a receptor complex†1.9129Citations (PDF)
111Ligand Binding and Subtype Selectivity of the Human A2A Adenosine ReceptorIDENTIFICATION AND CHARACTERIZATION OF ESSENTIAL AMINO ACID RESIDUES*
Journal of Biological Chemistry, 2010, 285, 13032-13044
1.389Citations (PDF)
112SimiCon: a web tool for protein-ligand model comparison through calculation of equivalent atomic contacts.
Bioinformatics, 2010, 26, 2784-5
3.213Citations (PDF)
113Structures of the CXCR4 Chemokine GPCR with Small-Molecule and Cyclic Peptide Antagonists
Science, 2010, 330, 1066-71
26.51,763Citations (PDF)
114Conserved Binding Mode of Human β2 Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography12.2366Citations (PDF)
115Analysis of full and partial agonists binding to β2-adrenergic receptor suggests a role of transmembrane helix V in agonist-specific conformational changes1.8118Citations (PDF)
116Identifying conformational changes of the β2 adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators1.961Citations (PDF)
117In meso crystal structure and docking simulations suggest an alternative proteoglycan binding site in the OpcA outer membrane adhesin1.943Citations (PDF)
118Discovery of small molecule inhibitors of ubiquitin-like poxvirus proteinase I7L using homology modeling and covalent docking approaches1.951Citations (PDF)
119Tightness of random knotting
Physical Review E, 2000, 61, 5545
1.6119Citations (PDF)
120Pulling chromatin fibers: computer simulations of direct physical micromanipulations3.089Citations (PDF)
121Aminoglycoside binding in the major groove of duplex RNA: the thermodynamic and electrostatic forces that govern recognition
Journal of Molecular Biology, 2000, 298, 95-110
3.066Citations (PDF)
122Influence of nucleosome structure on the three-dimensional folding of idealized minichromosomes
Structure, 1999, 7, 1009-1022
2.511Citations (PDF)
123Geometry and Physics of Catenanes Applied to the Study of DNA Replication
Biophysical Journal, 1998, 74, 2815-2822
1.550Citations (PDF)
124The effect of intrinsic curvature on conformational properties of circular DNA.
Biophysical Journal, 1997, 72, 1070-9
1.532Citations (PDF)
125Opposite effect of counterions on the persistence length of nicked and non-nicked DNA
Journal of Molecular Biology, 1997, 266, 711-721
3.035Citations (PDF)
126Properties of ideal composite knots
Nature, 1997, 388, 148-151
31.878Citations (PDF)
127Electrophoretic mobility of DNA knots
Nature, 1996, 384, 122-122
31.8184Citations (PDF)
128Geometry and physics of knots
Nature, 1996, 384, 142-145
31.8254Citations (PDF)
129Determination of DNA Persistence Length by Cryo-electron Microscopy. Separation of the Static and Dynamic Contributions to the Apparent Persistence Length of DNA
Journal of Molecular Biology, 1995, 254, 579-594
3.0244Citations (PDF)
130Computational design of thermostabilizing point mutations for G protein-coupled receptors.1.073Citations (PDF)
131Controlling opioid receptor functional selectivity by targeting distinct subpockets of the orthosteric site.1.066Citations (PDF)
132Structural insight into the activation of a class B G-protein-coupled receptor by peptide hormones in live human cells.1.055Citations (PDF)
133Structure-based discovery of potent and selective melatonin receptor agonists.1.044Citations (PDF)
134Exceptionally Potent Chiral Anandamide Analogs
Journal of Medicinal Chemistry, 0, 68, 25061-25077
4.82Citations (PDF)
135Structural insights into the mechanism of activation and inhibition of the prostaglandin D2 receptor 111.08Citations (PDF)
136Navigating structure-based drug discovery with emerging innovations in physics- and knowledge-based approaches3.522Citations (PDF)
137Differential Effects of Sodium on Agonist-Induced Conformational Transitions and Signaling at μ and κ Opioid Receptors
Biochemistry, 0, 64, 4746-4757
1.82Citations (PDF)
138PLATE-VS: a web server for protein-ligand assay curation and cross-target virtual screening datasets.
Nucleic Acids Research, 0, 54, W49-W56
11.22Citations (PDF)
139Molecular mechanisms for subtype selectivity of kinin receptors' antagonists.11.00Citations (PDF)
140A Ligand-Triggered Receptor Conformation Enables the Design of Selective Agonists for the Dopamine 3 Receptor (D3R) Using a Bitopic Strategy.
Jacs Au, 0, 6, 4138-4152
5.51Citations (PDF)
141V-SYNTHES2-the next generation tool for structure-based virtual screening of giga-scale chemical spaces.3.53Citations (PDF)