Lei Shi

发表

Beta2 adrenergic receptor activation. Modulation of the proline kink in transmembrane 6 by a rotamer toggle switch.

J. Ballesteros, Lei Shi, G. Liapakis, 2002, The Journal of biological chemistry.

The second extracellular loop of the dopamine D2 receptor lines the binding-site crevice.

Lei Shi, J. Javitch, 2004, Proceedings of the National Academy of Sciences of the United States of America.

Computational approaches to detect allosteric pathways in transmembrane molecular machines.

Harel Weinstein, Lei Shi, Sebastian Stolzenberg, 2016, Biochimica et biophysica acta.

Structural Basis of Dopamine Receptor Activation

Spencer S. Ericksen, H. Weinstein, I. Moreira, 2010 .

Substrate-modulated gating dynamics in a Na+-coupled neurotransmitter transporter homolog

Jonathan A. Javitch, Harel Weinstein, Lei Shi, 2011, Nature.

Toward Understanding the Structural Basis of Partial Agonism at the Dopamine D3 Receptor.

J. Deschamps, Lei Shi, J. Javitch, 2017, Journal of medicinal chemistry.

A pincer-like configuration of TM2 in the human dopamine transporter is responsible for indirect effects on cocaine binding

H. Weinstein, Lei Shi, J. Javitch, 2005, Neuropharmacology.

The binding sites for cocaine and dopamine in the dopamine transporter overlap

H. Weinstein, Lei Shi, J. Javitch, 2008, Nature Neuroscience.

The binding site of aminergic G protein-coupled receptors: the transmembrane segments and second extracellular loop.

Lei Shi, Jonathan A Javitch, Lei Shi, 2002, Annual review of pharmacology and toxicology.

The Sodium/Proline Transporter PutP of Helicobacter pylori

Lei Shi, Matthias Quick, Daniel Hilger, 2013, PloS one.

Structural and Dynamic Basis of Phospholamban and Sarcolipin Inhibition of

Lei Shi, L. Masterson, G. Veglia, 2008 .

Structural and dynamic basis of phospholamban and sarcolipin inhibition of Ca(2+)-ATPase.

Lei Shi, L. Masterson, G. Veglia, 2008, Biochemistry.

Conformational Dynamics on the Extracellular Side of LeuT Controlled by Na+ and K+ Ions and the Protonation State of Glu290*

H. Weinstein, Lei Shi, J. Javitch, 2016, The Journal of Biological Chemistry.

Computational modeling of the N‐terminus of the human dopamine transporter and its interaction with PIP2‐containing membranes

H. Weinstein, Lei Shi, G. Khelashvili, 2015, Proteins.

The mechanism of a neurotransmitter:sodium symporter--inward release of Na+ and substrate is triggered by substrate in a second binding site.

Harel Weinstein, Lei Shi, Matthias Quick, 2008, Molecular cell.

State-dependent Conformations of the Translocation Pathway in the Tyrosine Transporter Tyt1, a Novel Neurotransmitter:Sodium Symporter from Fusobacterium nucleatum*

Harel Weinstein, Lei Shi, Thijs Beuming, 2006, Journal of Biological Chemistry.

Computational Approaches in the Structure–Function Studies of Dopamine Receptors

Lei Shi, M. Michino, 2015 .

The Effects of Terminal Tagging on Homomeric Interactions of the Sigma 1 Receptor

Lei Shi, Hideaki Yano, Leanne Liu, 2019, bioRxiv.

Beyond small-molecule SAR: using the dopamine D3 receptor crystal structure to guide drug design.

Lei Shi, A. Newman, Thomas M. Keck, 2014, Advances in pharmacology.

OZITX, a pertussis toxin-like protein for occluding inhibitory G protein signalling including Gαz

J. R. Lane, Lei Shi, J. Javitch, 2022, Communications biology.

The Fourth Transmembrane Segment Forms the Interface of the Dopamine D2 Receptor Homodimer*

Lei Shi, Jonathan A Javitch, Lei Shi, 2003, The Journal of Biological Chemistry.

Discovery and Characterization of a G Protein – Biased Agonist That Inhibits b-Arrestin Recruitment to the D 2 Dopamine Receptor s

M. Ferrer, D. Sibley, Noel Southall, 2014 .

Discovery and Characterization of a G Protein–Biased Agonist That Inhibits β-Arrestin Recruitment to the D2 Dopamine Receptor

M. Ferrer, D. Sibley, Noel Southall, 2014, Molecular Pharmacology.

Structural Signatures and Membrane Helix 4 in GLUT1

Lei Shi, Hong Yang, Dong Wang, 2008, Journal of Biological Chemistry.

GPCR-mediated β-arrestin activation deconvoluted with single-molecule precision

Daniel S. Terry, Alessandro Borgia, Lei Shi, 2022, Cell.

Distinct inactive conformations of the dopamine D2 and D3 receptors correspond to different extents of inverse agonism

Ara M. Abramyan, J. R. Lane, Lei Shi, 2020, eLife.

Distinct antagonist-bound inactive states underlie the divergence in the structures of the dopamine D2 and D3 receptors

Ara M. Abramyan, J. R. Lane, Lei Shi, 2019, bioRxiv.

Gs- versus Golf-dependent functional selectivity mediated by the dopamine D1 receptor

Min Xu, A. Bonci, A. Hoffman, 2018, Nature Communications.

Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach

Williams E. Miranda, Lei Shi, H. Duff, 2019, J. Chem. Inf. Model..

Synthesis, crystal structure, and growth inhibition of human hepatoma cell (HepG2) of polyphenolic compounds based on gallates

Chen Xu, Zhu-Ping Xiao, Lei Shi, 2007 .

Distinct inactive conformations of the dopamine D 2 and D 3 receptors correspond 1 to different extents of inverse agonism 2 3 4

Ara M. Abramyan, J. R. Lane, Lei Shi, 2022 .

β2 Adrenergic Receptor Activation

J. Ballesteros, Lei Shi, G. Liapakis, 2002, The Journal of Biological Chemistry.

The Role of Ion Binding in Transporter Conformational Transition

Lei Shi, 2014 .

High-potency ligands for DREADD imaging and activation in rodents and monkeys

Ara M. Abramyan, B. Richmond, M. Michaelides, 2019, Nature Communications.

Disentangling autoproteolytic cleavage from tethered agonist–dependent activation of the adhesion receptor ADGRL3

Lei Shi, J. Javitch, Kuo-Hao Lee, 2022, The Journal of biological chemistry.

Dopamine D2 receptors form higher order oligomers at physiological expression levels

Marta Filizola, Lei Shi, Juan Carlos Mobarec, 2008, The EMBO journal.

What Can Crystal Structures of Aminergic Receptors Tell Us about Designing Subtype-Selective Ligands?

Lei Shi, Thijs Beuming, Mayako Michino, 2015, Pharmacological Reviews.

The LeuT-fold neurotransmitter:sodium symporter MhsT has two substrate sites

Ara M. Abramyan, H. Weinstein, Lei Shi, 2018, Proceedings of the National Academy of Sciences.

Discovery, Optimization and Characterization of ML417: A Novel and Highly Selective D3 Dopamine Receptor Agonist.

Ara M. Abramyan, M. Ferrer, D. Sibley, 2020, Journal of medicinal chemistry.

Structure-Activity Relationship Studies on a Series of 3α-[Bis(4-fluorophenyl)methoxy]tropanes and 3α-[Bis(4-fluorophenyl)methylamino]tropanes As Novel Atypical Dopamine Transporter (DAT) Inhibitors for the Treatment of Cocaine Use Disorders.

Ara M. Abramyan, Lei Shi, A. Newman, 2017, Journal of medicinal chemistry.

Novel Analogues of (R)-5-(Methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one (Sumanirole) Provide Clues to Dopamine D2/D3 Receptor Agonist Selectivity

D. Sibley, A. Janowsky, Lei Shi, 2016, Journal of Medicinal Chemistry.

R-Modafinil (Armodafinil): A Unique Dopamine Uptake Inhibitor and Potential Medication for Psychostimulant Abuse

Lei Shi, A. Newman, C. Loland, 2012, Biological Psychiatry.

Chloride binding site of neurotransmitter sodium symporters

H. Weinstein, Lei Shi, J. Javitch, 2013, Proceedings of the National Academy of Sciences.

The sodium/multivitamin transporter: a multipotent system with therapeutic implications.

Lei Shi, M. Quick, 2015, Vitamins and hormones.

The Isomeric Preference of an Atypical Dopamine Transporter Inhibitor Contributes to Its Selection of the Transporter Conformation.

Ara M. Abramyan, F. Noé, Lei Shi, 2017, ACS chemical neuroscience.

Transition metal ion FRET uncovers K+ regulation of a neurotransmitter/sodium symporter

H. Sitte, Lei Shi, U. Gether, 2016, Nature Communications.

A new mechanism of allostery in a G protein-coupled receptor dimer

P. Sexton, A. Christopoulos, J. R. Lane, 2014, Nature chemical biology.

Activation of the β2-Adrenergic Receptor Involves Disruption of an Ionic Lock between the Cytoplasmic Ends of Transmembrane Segments 3 and 6*

J. Ballesteros, Lei Shi, G. Liapakis, 2001, The Journal of Biological Chemistry.

Experimental conditions can obscure the second high-affinity site in LeuT

Jonathan A. Javitch, Harel Weinstein, Lei Shi, 2011, Nature Structural &Molecular Biology.

Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

Jonathan A. Javitch, Lei Shi, Raymond C. Stevens, 2010, Science.

A Juxtamembrane Mutation in the N Terminus of the Dopamine Transporter Induces Preference for an Inward-Facing Conformation

R. Neubig, H. Weinstein, Lei Shi, 2009, Molecular Pharmacology.

Antimalarial proteasome inhibitor reveals collateral sensitivity from intersubunit interactions and fitness cost of resistance

M. Foley, P. Rosenthal, P. Bhanot, 2018, Proceedings of the National Academy of Sciences.

Translating the atypical dopamine uptake inhibitor hypothesis toward therapeutics for treatment of psychostimulant use disorders

Ara M. Abramyan, Z. Xi, Lei Shi, 2019, Neuropsychopharmacology.

Myelogenous Leukemia Cells Metabolism to Eradicate Human Acute Targeting Aberrant Glutathione Molecular Bases of Disease :

Patricia Greninger, J. Settleman, Lei Shi, 2014 .

Targeting Aberrant Glutathione Metabolism to Eradicate Human Acute Myelogenous Leukemia Cells*

John M. Ashton, Patricia Greninger, J. Settleman, 2013, The Journal of Biological Chemistry.

A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.

A. Zakharov, Adam Yasgar, A. Jadhav, 2021, Cell reports.

Identification of a putative binding site critical for general anesthetic activation of TRPA1

Ara M. Abramyan, Lei Shi, Thieu X. Phan, 2017, Proceedings of the National Academy of Sciences.

Building a protein name dictionary from full text: a machine learning term extraction approach

Fabien Campagne, Lei Shi, F. Campagne, 2005, BMC Bioinformatics.

Novel and Potent Dopamine D2 Receptor Go-Protein Biased Agonists

A. Hoffman, C. Lupica, Lei Shi, 2019, ACS pharmacology & translational science.

Functional impact of cancer patient‐associated Bcl‐xL mutations

Lei Shi, Zhengming Chen, George Zhang, 2020, MedComm.

Computation-guided analysis of paroxetine binding to hSERT reveals functionally important structural elements and dynamics

Ara M. Abramyan, Lei Shi, A. Newman, 2019, Neuropharmacology.

A novel Bromine-containing paroxetine analog provides mechanistic clues for binding ambiguity at the central primary binding site of the serotonin transporter.

Ara M. Abramyan, J. Deschamps, Lei Shi, 2019, ACS chemical neuroscience.

Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP2-Regulated Dynamics of the N-Terminus

Gianni De Fabritiis, George Khelashvili, Harel Weinstein, 2015, ACS chemical neuroscience.

THE BINDING SITE OF AMINERGIC GP ROTEIN-COUPLED RECEPTORS:

Lei Shi, J. Javitch, 2002 .

A comprehensive evaluation of the potential binding poses of fentanyl and its analogs at the µ-opioid receptor

Lei Shi, B. Xie, Alexander F. G. Goldberg, 2021, Computational and structural biotechnology journal.

OZITX, a pertussis toxin-like protein for occluding inhibitory G protein signalling including Gαz

J. R. Lane, Lei Shi, J. Javitch, 2022, Communications Biology.

The Glu102 mutation disrupts higher-order oligomerization of the sigma 1 receptor

Ara M. Abramyan, Lei Shi, Hideaki Yano, 2020, Computational and structural biotechnology journal.

The Effects of Terminal Tagging on Homomeric Interactions of the Sigma 1 Receptor

Lei Shi, Hideaki Yano, Leanne Liu, 2019, Frontiers in neuroscience.

Pharmacological profiling of sigma 1 receptor ligands by novel receptor homomer assays

Ara M. Abramyan, Lei Shi, A. Newman, 2018, Neuropharmacology.

Ion and pH Sensitivity of a TMBIM Ca2+ Channel.

Lei Shi, M. Quick, Qun Liu, 2019, Structure.

Identification of a Second Substrate-binding Site in Solute-Sodium Symporters*

Lei Shi, M. Quick, J. Abramson, 2014, The Journal of Biological Chemistry.

Gs- versus Golf-dependent functional selectivity mediated by the dopamine D1 receptor

A. Bonci, A. Hoffman, Lei Shi, 2018, Nature Communications.

Single-molecule dynamics of gating in a neurotransmitter transporter homolog

Jonathan A. Javitch, Harel Weinstein, Lei Shi, 2010, Nature.

Identification of small molecule allosteric modulators of 5,10-methylenetetrahydrofolate reductase (MTHFR) by targeting its unique regulatory domain

G. A. Bezerra, Lei Shi, W. Yue, 2021, Biochimie.

A structural basis for how ligand binding site changes can allosterically regulate GPCR signaling and engender functional selectivity

D. Sibley, Lei Shi, Hideaki Yano, 2020, Science Signaling.

Functional Studies of the T295M Mutation Causing Glut1 Deficiency: Glucose Efflux Preferentially Affected by T295M

Lei Shi, Hong Yang, K. Engelstad, 2008, Pediatric Research.

Conformational Plasticity of GPCR Binding Sites

L. Pardo, J. Ballesteros, Lei Shi, 2005 .

Molder: An Accessible Design Tool for Tactile Maps

Shiri Azenkot, Lei Shi, Elizabeth Kupferstein, 2020, CHI.

Designing Interactions for 3D Printed Models with Blind People

Lei Shi, Yuhang Zhao, Shiri Azenkot, 2017, ASSETS.

Brief treatment with a highly selective immunoproteasome inhibitor promotes long-term cardiac allograft acceptance in mice

Lei Shi, C. Nathan, J. Azzi, 2016, Proceedings of the National Academy of Sciences.

Molecular determinants of the intrinsic efficacy of the antipsychotic aripiprazole.

A. Christopoulos, J. R. Lane, Lei Shi, 2019, ACS chemical biology.

Novel Bivalent Ligands Based on the Sumanirole Pharmacophore Reveal Dopamine D2 Receptor (D2R) Biased Agonism.

Lei Shi, A. Newman, Alessandro Bonifazi, 2017, Journal of medicinal chemistry.

A Single Glycine in Extracellular Loop 1 Is the Critical Determinant for Pharmacological Specificity of Dopamine D2 and D3 Receptors

Lei Shi, J. Javitch, M. Michino, 2013, Molecular Pharmacology.

Molecular determinants of selectivity and efficacy at the dopamine D3 receptor.

Lei Shi, J. Javitch, M. Michino, 2012, Journal of medicinal chemistry.

The Second Sodium Site in the Dopamine Transporter Controls Cation Permeation and Is Regulated by Chloride*

Thorvald F. Andreassen, H. Weinstein, Lei Shi, 2014, The Journal of Biological Chemistry.

The Membrane Protein LeuT in Micellar Systems: Aggregation Dynamics and Detergent Binding to the S2 Site

George Khelashvili, Jonathan A. Javitch, Harel Weinstein, 2013, Journal of the American Chemical Society.

The binding sites for benztropines and dopamine in the dopamine transporter overlap

H. Weinstein, Lei Shi, A. Newman, 2011, Neuropharmacology.

The Substrate-Driven Transition to an Inward-Facing Conformation in the Functional Mechanism of the Dopamine Transporter

H. Weinstein, Lei Shi, J. Javitch, 2011, PloS one.

An Intracellular Interaction Network Regulates Conformational Transitions in the Dopamine Transporter*

Harel Weinstein, Lei Shi, Jonathan A Javitch, 2008, Journal of Biological Chemistry.

The action of a negative allosteric modulator at the dopamine D2 receptor is dependent upon sodium ions

Ara M. Abramyan, A. Christopoulos, Lei Shi, 2018, Scientific Reports.

Discovery of a novel competitive inhibitor of PTP1B by high-throughput screening

Lei Shi, Hai-ping Yu, Q. Shen, 2008, Acta Pharmacologica Sinica.

Steric Hindrance Mutagenesis in the Conserved Extracellular Vestibule Impedes Allosteric Binding of Antidepressants to the Serotonin Transporter*

H. Weinstein, Lei Shi, A. Newman, 2012, The Journal of Biological Chemistry.

Positive allosteric modulation of the 5-HT1A receptor by indole-based synthetic cannabinoids abused by humans.

A. Hoffman, C. Lupica, Lei Shi, 2020, ACS chemical neuroscience.

Ion/substrate-dependent conformational dynamics of a bacterial homolog of neurotransmitter:sodium symporters

Harel Weinstein, Lei Shi, Matthias Quick, 2010, Nature Structural &Molecular Biology.

The mechanism of a high-affinity allosteric inhibitor of the serotonin transporter

Ara M. Abramyan, Lei Shi, A. Mørk, 2020, Nature Communications.

Computational Modeling of C-Terminal Tails to Predict the Calcium-Dependent Secretion of Endoplasmic Reticulum Resident Proteins

Lei Shi, R. Verma, B. Harvey, 2021, Frontiers in Chemistry.

Computational modeling of C-terminal tails to predict the calcium-dependent secretion of ER resident proteins

Lei Shi, R. Verma, B. Harvey, 2021, bioRxiv.

Synthesis and Pharmacological Characterization of Novel trans-Cyclopropylmethyl-Linked Bivalent Ligands That Exhibit Selectivity and Allosteric Pharmacology at the Dopamine D3 Receptor (D3R).

D. Sibley, J. R. Lane, Lei Shi, 2017, Journal of medicinal chemistry.

Supporting Material

Harel Weinstein, Lei Shi, H. Weinstein, 2010 .

Evidence for a stereoselective mechanism for bitopic activity by extended-length antagonists of the D3 dopamine receptor.

D. Sibley, J. R. Lane, Lei Shi, 2020, ACS chemical neuroscience.

The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors

Jonathan A. Javitch, Ravi Kumar Verma, Ara M. Abramyan, 2018, PLoS Comput. Biol..

Discovery of a Novel Class of Negative Allosteric Modulator of the Dopamine D2 Receptor Through Fragmentation of a Bitopic Ligand.

Shailesh N Mistry, A. Christopoulos, Lei Shi, 2015, Journal of medicinal chemistry.

Immunoproteasome β5i‐Selective Dipeptidomimetic Inhibitors

Lei Shi, C. Nathan, P. Singh, 2016, ChemMedChem.

The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors

Ara M. Abramyan, D. Sibley, J. R. Lane, 2018, PLoS Comput. Biol..

Chirality of Novel Bitopic Agonists Determines Unique Pharmacology at the Dopamine D3 Receptor

Lei Shi, A. Newman, Alessandro Bonifazi, 2021, Biomolecules.

Designing and Evaluating a Customizable Head-mounted Vision Enhancement System for People with Low Vision

Lei Shi, Yuhang Zhao, Shiri Azenkot, 2019, ACM Trans. Access. Comput..

Role of Annular Lipids in the Functional Properties of Leucine Transporter LeuT Proteomicelles

Michael V. LeVine, H. Weinstein, Lei Shi, 2016, Biochemistry.

CHAPTER 26 – The Binding Pocket of G-Protein-Coupled Receptors for Biogenic Amines, Retinal, and Other Ligands

Lei Shi, J. Javitch, 2003 .

The cost of living in the membrane: a case study of hydrophobic mismatch for the multi-segment protein LeuT.

George Khelashvili, Harel Weinstein, Lei Shi, 2013, Chemistry and physics of lipids.

Designing Interactive 3D Printed Models with Teachers of the Visually Impaired

Lei Shi, Shiri Azenkot, Holly Lawson, 2019, CHI.

Magic Touch: Interacting with 3D Printed Graphics

Lei Shi, Yuhang Zhao, Ross McLachlan, 2016, ASSETS.

The mechanism of a high-affinity allosteric inhibitor of the serotonin transporter

Ara M. Abramyan, Lei Shi, A. Mørk, 2020, Nature Communications.

The role of transmembrane segment 5 (TM5) in Na2 release and the conformational transition of neurotransmitter:sodium symporters toward the inward-open state

H. Weinstein, Lei Shi, J. Javitch, 2017, The Journal of Biological Chemistry.

Mechanism of the Association between Na+ Binding and Conformations at the Intracellular Gate in Neurotransmitter:Sodium Symporters*

George Khelashvili, Jonathan A. Javitch, Harel Weinstein, 2015, The Journal of Biological Chemistry.

Ion-controlled conformational dynamics in the outward-open transition from an occluded state of LeuT.

Harel Weinstein, Lei Shi, Sebastian Stolzenberg, 2012, Biophysical journal.

Conformational rearrangements to the intracellular open states of the LeuT and ApcT transporters are modulated by common mechanisms.

H. Weinstein, Lei Shi, 2010, Biophysical journal.

Substrate-dependent proton antiport in neurotransmitter:sodium symporters

H. Weinstein, Lei Shi, J. Javitch, 2009, Nature chemical biology.

Conserved Tyrosine in the First Transmembrane Segment of Solute:Sodium Symporters Is Involved in Na+-coupled Substrate Co-transport*

Lei Shi, M. Quick, S. Mazier, 2011, The Journal of Biological Chemistry.

TRAC: A Platform for Structure-Function Studies of NSS-Proteins Integrates Information from Bioinformatics and Biomedical Literature

Jonathan A. Javitch, Marko Srdanovic, Lucy Skrabanek, 2010, 2010 IEEE International Conference on BioInformatics and BioEngineering.

The structural determinants of the bitopic binding mode of a negative allosteric modulator of the dopamine D2 receptor

A. Christopoulos, Lei Shi, J. Javitch, 2018, Biochemical pharmacology.

Targeting Aberrant Glutathione Metabolism to Eradicate Human Acute Myelogenous Leukemia Cells*

Patricia Greninger, J. Settleman, C. Benes, 2013, The Journal of Biological Chemistry.

Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach

Henry J. Duff, Sergei Yu Noskov, Lei Shi, 2021, J. Chem. Inf. Model..

Accessible Video Calling

Paul Johns, John C. Tang, Edward Cutrell, 2019, Proc. ACM Hum. Comput. Interact..

Transition metal ion FRET uncovers K+ regulation of a neurotransmitter/sodium symporter

H. Sitte, Lei Shi, U. Gether, 2016, Nature Communications.

Substrate-modulated gating dynamics in a Na+-coupled neurotransmitter transporter homolog

Daniel S. Terry, H. Weinstein, Lei Shi, 2011, Nature.

Knock knock, what's there: converting passive objects into customizable smart controllers

Lei Shi, Yunfeng Zhang, Maryam Ashoori, 2018, MobileHCI.

Conformational rearrangements to the intracellular open states of the LeuT and ApcT transporters are modulated by common mechanisms.

H. Weinstein, Lei Shi, 2010, Biophysical journal.

Conformational changes in dopamine transporter intracellular regions upon cocaine binding and dopamine translocation

H. Weinstein, Lei Shi, J. Javitch, 2014, Neurochemistry International.