William F Degrado

William F Degrado

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William F Degrado

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In vitro 0N4R tau fibrils contain a monomorphic β-sheet core enclosed by dynamically heterogeneous fuzzy coat segments.

Proc Natl Acad Sci U S A 2019 Aug 29;116(33):16357-16366. Epub 2019 Jul 29.

Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139;

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http://dx.doi.org/10.1073/pnas.1906839116DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6697781PMC
August 2019

X-ray Crystal Structure of the Influenza A M2 Proton Channel S31N Mutant in Two Conformational States: An Open and Shut Case.

J Am Chem Soc 2019 Jul 11;141(29):11481-11488. Epub 2019 Jul 11.

Department of Pharmaceutical Chemistry , University of California , San Francisco , California 94158 , United States.

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http://dx.doi.org/10.1021/jacs.9b02196DOI Listing
July 2019

Proton-Induced Conformational and Hydration Dynamics in the Influenza A M2 Channel.

J Am Chem Soc 2019 Jul 12;141(29):11667-11676. Epub 2019 Jul 12.

Department of Chemistry, Institute for Biophysical Dynamics and James Franck Institute , The University of Chicago , Chicago , Illinois 60637 , United States.

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http://dx.doi.org/10.1021/jacs.9b05136DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6768079PMC
July 2019

Modulating Integrin αIIbβ3 Activity through Mutagenesis of Allosterically Regulated Intersubunit Contacts.

Biochemistry 2019 Jul 12;58(30):3251-3259. Epub 2019 Jul 12.

Hematology-Oncology Division , University of Pennsylvania School of Medicine , Philadelphia , Pennsylvania 19104 , United States.

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http://dx.doi.org/10.1021/acs.biochem.9b00430DOI Listing
July 2019

Unique transmembrane domain interactions differentially modulate integrin αvβ3 and αIIbβ3 function.

Proc Natl Acad Sci U S A 2019 Jun 3;116(25):12295-12300. Epub 2019 Jun 3.

Division of Hematology/Oncology, Department of Medicine, University of Pennsylvania School of Medicine, Philadelphia, PA 19104

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http://dx.doi.org/10.1073/pnas.1904867116DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6589676PMC
June 2019

De Novo Design of Four-Helix Bundle Metalloproteins: One Scaffold, Diverse Reactivities.

Acc Chem Res 2019 May 11;52(5):1148-1159. Epub 2019 Apr 11.

Department of Pharmaceutical Chemistry and the Cardiovascular Research Institute , University of California at San Francisco , San Francisco , California 94158-9001 , United States.

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http://pubs.acs.org/doi/10.1021/acs.accounts.8b00674
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http://dx.doi.org/10.1021/acs.accounts.8b00674DOI Listing
May 2019

Genetically Introducing Biochemically Reactive Amino Acids Dehydroalanine and Dehydrobutyrine in Proteins.

J Am Chem Soc 2019 May 3;141(19):7698-7703. Epub 2019 May 3.

Department of Chemistry and Center for Therapeutics and Diagnostics , Georgia State University , Atlanta , Georgia 30302 , United States.

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http://pubs.acs.org/doi/10.1021/jacs.9b02611
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http://dx.doi.org/10.1021/jacs.9b02611DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6556376PMC
May 2019

SNAC-tag for sequence-specific chemical protein cleavage.

Nat Methods 2019 04 25;16(4):319-322. Epub 2019 Mar 25.

Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.

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http://dx.doi.org/10.1038/s41592-019-0357-3DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6443254PMC
April 2019

Synthesis and application of the blue fluorescent amino acid l-4-cyanotryptophan to assess peptide-membrane interactions.

Chem Commun (Camb) 2019 Apr;55(35):5095-5098

Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158, USA.

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http://dx.doi.org/10.1039/c9cc01152hDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6508085PMC
April 2019

Packing of apolar side chains enables accurate design of highly stable membrane proteins.

Science 2019 03;363(6434):1418-1423

Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA 94158, USA.

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http://dx.doi.org/10.1126/science.aav7541DOI Listing
March 2019

Exposing the Nucleation Site in α-Helix Folding: A Joint Experimental and Simulation Study.

J Phys Chem B 2019 Feb 14;123(8):1797-1807. Epub 2019 Feb 14.

Department of Chemistry , University of Pennsylvania , Philadelphia , Pennsylvania 19104 , United States.

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http://dx.doi.org/10.1021/acs.jpcb.8b12220DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6497059PMC
February 2019

Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.

J Am Chem Soc 2018 11 12;140(45):15219-15226. Epub 2018 Sep 12.

Department of Pharmaceutical Chemistry , University of California , San Francisco , California 94158 , United States.

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http://dx.doi.org/10.1021/jacs.8b06741DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6497056PMC
November 2018

Proximity-enhanced SuFEx chemical cross-linker for specific and multitargeting cross-linking mass spectrometry.

Proc Natl Acad Sci U S A 2018 10 15;115(44):11162-11167. Epub 2018 Oct 15.

Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158;

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http://www.pnas.org/lookup/doi/10.1073/pnas.1813574115
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http://dx.doi.org/10.1073/pnas.1813574115DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6217395PMC
October 2018

Designed peptides that assemble into cross-α amyloid-like structures.

Nat Chem Biol 2018 09 30;14(9):870-875. Epub 2018 Jul 30.

Department of Pharmaceutical Chemistry, University of California at San Francisco, San Francisco, CA, USA.

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http://dx.doi.org/10.1038/s41589-018-0105-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6497057PMC
September 2018

Building and Breaking Bonds via a Compact S-Propargyl-Cysteine to Chemically Control Enzymes and Modify Proteins.

Angew Chem Int Ed Engl 2018 09 5;57(39):12702-12706. Epub 2018 Sep 5.

University of California, San Francisco, Department of Pharmaceutical Chemistry, San Francisco, CA, 94158, USA.

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http://dx.doi.org/10.1002/anie.201806197DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6169525PMC
September 2018

A long-lived Aβ oligomer resistant to fibrillization.

Biopolymers 2018 Aug 10;109(8):e23096. Epub 2018 Jan 10.

Department of Pharmaceutical Chemistry, University of California, San Francisco, California.

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http://dx.doi.org/10.1002/bip.23096DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6039285PMC
August 2018

Spectroscopic and metal binding properties of a de novo metalloprotein binding a tetrazinc cluster.

Biopolymers 2018 Aug 11;109(10):e23339. Epub 2018 Sep 11.

Department of Pharmaceutical Chemistry and the Cardiovascular Research Institute, University of California at San Francisco, San Francisco, California.

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http://dx.doi.org/10.1002/bip.23229DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218314PMC
August 2018

Design of a Short Thermally Stable α-Helix Embedded in a Macrocycle.

Chembiochem 2018 05 22;19(9):902-906. Epub 2018 Mar 22.

Department of Pharmaceutical Chemistry, University of California, San Francisco, CA, 94158, USA.

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http://doi.wiley.com/10.1002/cbic.201800026
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http://dx.doi.org/10.1002/cbic.201800026DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6512792PMC
May 2018

De novo designed transmembrane peptides activating the α5β1 integrin.

Protein Eng Des Sel 2018 05;31(5):181-190

Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.

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http://dx.doi.org/10.1093/protein/gzy014DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6151875PMC
May 2018

De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.

J Am Chem Soc 2018 01 22;140(4):1294-1304. Epub 2018 Jan 22.

Department of Chemical Sciences, University of Napoli "Federico II" , Via Cintia, 46, 80126 Napoli, Italy.

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http://dx.doi.org/10.1021/jacs.7b08261DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5860638PMC
January 2018

De novo design of a hyperstable non-natural protein-ligand complex with sub-Å accuracy.

Nat Chem 2017 12 21;9(12):1157-1164. Epub 2017 Aug 21.

Department of Pharmaceutical Chemistry, Cardiovascular Research Institute, University of California, San Francisco, California 94158, USA.

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http://www.nature.com/doifinder/10.1038/nchem.2846
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http://dx.doi.org/10.1038/nchem.2846DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5859929PMC
December 2017

Spontaneous and specific chemical cross-linking in live cells to capture and identify protein interactions.

Nat Commun 2017 12 21;8(1):2240. Epub 2017 Dec 21.

Department of Pharmaceutical Chemistry and the Cardiovascular Research Institute, University of California San Francisco, 555 Mission Bay Blvd. South, San Francisco, California, 94158, USA.

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http://dx.doi.org/10.1038/s41467-017-02409-zDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5740110PMC
December 2017

Self-assembling dipeptide antibacterial nanostructures with membrane disrupting activity.

Nat Commun 2017 11 8;8(1):1365. Epub 2017 Nov 8.

Department of Molecular Microbiology and Biotechnology, George S. Wise Faculty of Life Sciences, Tel Aviv University, Tel Aviv, 69978, Israel.

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http://www.nature.com/articles/s41467-017-01447-x
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http://dx.doi.org/10.1038/s41467-017-01447-xDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5678095PMC
November 2017

De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.

Proc Natl Acad Sci U S A 2017 10 25;114(41):10852-10857. Epub 2017 Sep 25.

Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158;

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http://dx.doi.org/10.1073/pnas.1710695114DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5642715PMC
October 2017

Design of self-assembling transmembrane helical bundles to elucidate principles required for membrane protein folding and ion transport.

Philos Trans R Soc Lond B Biol Sci 2017 Aug;372(1726)

Department of Pharmaceutical Chemistry, Cardiovascular Research Institute, University of California, San Francisco, San Francisco, CA 94158, USA

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http://dx.doi.org/10.1098/rstb.2016.0214DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5483517PMC
August 2017

Pharmacologic Blockade of v1 Integrin Ameliorates Renal Failure and Fibrosis .

J Am Soc Nephrol 2017 Jul 20;28(7):1998-2005. Epub 2017 Feb 20.

Division of Pulmonary and Critical Care, Department of Medicine, University of California San Francisco, San Francisco, California; and.

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http://dx.doi.org/10.1681/ASN.2015050585DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5491273PMC
July 2017

Blue fluorescent amino acid for biological spectroscopy and microscopy.

Proc Natl Acad Sci U S A 2017 06 22;114(23):6005-6009. Epub 2017 May 22.

Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104;

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http://dx.doi.org/10.1073/pnas.1705586114DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5468623PMC
June 2017

Zinc-binding structure of a catalytic amyloid from solid-state NMR.

Proc Natl Acad Sci U S A 2017 06 31;114(24):6191-6196. Epub 2017 May 31.

Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139;

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http://dx.doi.org/10.1073/pnas.1706179114DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5474797PMC
June 2017

Activation pH and Gating Dynamics of Influenza A M2 Proton Channel Revealed by Single-Molecule Spectroscopy.

Angew Chem Int Ed Engl 2017 05 4;56(19):5283-5287. Epub 2017 Apr 4.

Ultrafast Optical Processes Laboratory, Department of Chemistry, University of Pennsylvania, Philadelphia, 231 S. 34th Street, Philadelphia, PA, 19104, USA.

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http://dx.doi.org/10.1002/anie.201701874DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5543805PMC
May 2017

Water Distribution, Dynamics, and Interactions with Alzheimer's β-Amyloid Fibrils Investigated by Solid-State NMR.

J Am Chem Soc 2017 05 21;139(17):6242-6252. Epub 2017 Apr 21.

Department of Chemistry, Massachusetts Institute of Technology , Cambridge, Massachusetts 02139, United States.

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http://dx.doi.org/10.1021/jacs.7b02089DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5808936PMC
May 2017

An M2-V27A channel blocker demonstrates potent in vitro and in vivo antiviral activities against amantadine-sensitive and -resistant influenza A viruses.

Antiviral Res 2017 04 10;140:45-54. Epub 2017 Jan 10.

Department of Pharmacology and Toxicology, College of Pharmacy, The University of Arizona, Tucson, Arizona 85721, United States.

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http://dx.doi.org/10.1016/j.antiviral.2017.01.006DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5326599PMC
April 2017

The accommodation index measures the perturbation associated with insertions and deletions in coiled-coils: Application to understand signaling in histidine kinases.

Protein Sci 2017 03 23;26(3):414-435. Epub 2017 Feb 23.

Department of Pharmaceutical Chemistry, Cardiovascular Research Institute, University of California, San Francisco, California, 94158.

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http://dx.doi.org/10.1002/pro.3095DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5326573PMC
March 2017

Acid activation mechanism of the influenza A M2 proton channel.

Proc Natl Acad Sci U S A 2016 Nov 24;113(45):E6955-E6964. Epub 2016 Oct 24.

Department of Chemistry, The University of Chicago, Chicago, IL 60637;

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http://dx.doi.org/10.1073/pnas.1615471113DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5111692PMC
November 2016

Infrared and fluorescence assessment of the hydration status of the tryptophan gate in the influenza A M2 proton channel.

Phys Chem Chem Phys 2016 Oct;18(41):28939-28950

Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA. and Ultrafast Optical Processes Laboratory, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA.

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http://dx.doi.org/10.1039/c6cp03426hDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5157935PMC
October 2016

Exploring -Arylsulfonyl-l-proline Scaffold as a Platform for Potent and Selective αvβ1 Integrin Inhibitors.

ACS Med Chem Lett 2016 Oct 30;7(10):902-907. Epub 2016 Aug 30.

Department of Pharmaceutical Chemistry, University of California-San Francisco , San Francisco, California 94158, United States.

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http://dx.doi.org/10.1021/acsmedchemlett.6b00196DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5066160PMC
October 2016

Crystal structure of the drug-resistant S31N influenza M2 proton channel.

Protein Sci 2016 08 17;25(8):1551-4. Epub 2016 May 17.

Department of Pharmaceutical Chemistry, University of California San Francisco, 555 Mission Bay Blvd. (S) Room 452V, San Francisco, California, 94158.

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http://dx.doi.org/10.1002/pro.2937DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4972211PMC
August 2016

Structural Polymorphism of Alzheimer's β-Amyloid Fibrils as Controlled by an E22 Switch: A Solid-State NMR Study.

J Am Chem Soc 2016 08 28;138(31):9840-52. Epub 2016 Jul 28.

Department of Chemistry, Massachusetts Institute of Technology , Cambridge, Massachusetts 02139, United States.

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http://dx.doi.org/10.1021/jacs.6b03715DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5149419PMC
August 2016

Photoactivatable protein labeling by singlet oxygen mediated reactions.

Bioorg Med Chem Lett 2016 07 12;26(14):3359-3363. Epub 2016 May 12.

Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, CA 94158, USA; Cardiovascular Research Institute, University of California-San Francisco, San Francisco, CA 94158, USA. Electronic address:

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http://dx.doi.org/10.1016/j.bmcl.2016.05.034DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4903891PMC
July 2016

Graphene Symmetry Amplified by Designed Peptide Self-Assembly.

Biophys J 2016 06;110(11):2507-2516

Department of Physics, Northeastern University, Boston, Massachusetts. Electronic address:

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http://dx.doi.org/10.1016/j.bpj.2016.04.037DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4906377PMC
June 2016

Designed metalloprotein stabilizes a semiquinone radical.

Nat Chem 2016 Apr 15;8(4):354-9. Epub 2016 Feb 15.

Department of Pharmaceutical Chemistry, University of California - San Francisco, San Francisco, California 94158, USA.

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http://dx.doi.org/10.1038/nchem.2453DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4857601PMC
April 2016

Protein-directed self-assembly of a fullerene crystal.

Nat Commun 2016 Apr 26;7:11429. Epub 2016 Apr 26.

Department of Computer Science and Department of Biological Sciences, Dartmouth College, Hanover, New Hampshire 03755, USA.

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http://dx.doi.org/10.1038/ncomms11429DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4853425PMC
April 2016

Discovery of Highly Potent Inhibitors Targeting the Predominant Drug-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.

J Med Chem 2016 Feb 29;59(3):1207-16. Epub 2016 Jan 29.

Department of Pharmacology and Toxicology, College of Pharmacy, The University of Arizona , Tucson, Arizona 85721, United States.

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http://dx.doi.org/10.1021/acs.jmedchem.5b01910DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4829348PMC
February 2016

High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.

Proc Natl Acad Sci U S A 2015 Nov 2;112(46):14260-5. Epub 2015 Nov 2.

Department of Pharmaceutical Chemistry, University of San Francisco, San Francisco, CA 94158;

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http://dx.doi.org/10.1073/pnas.1518493112DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4655559PMC
November 2015

Systematic Perturbations of Binuclear Non-heme Iron Sites: Structure and Dioxygen Reactivity of de Novo Due Ferri Proteins.

Biochemistry 2015 Aug 24;54(30):4637-51. Epub 2015 Jul 24.

†Department of Chemistry, Stanford University, Stanford, California 94305, United States.

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http://dx.doi.org/10.1021/acs.biochem.5b00324DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4857603PMC
August 2015

Molecular-Level Insight into the Differential Oxidase and Oxygenase Reactivities of de Novo Due Ferri Proteins.

J Am Chem Soc 2015 Jul 15;137(29):9302-14. Epub 2015 Jul 15.

†Department of Chemistry, Stanford University, Stanford, California 94305, United States.

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http://dx.doi.org/10.1021/jacs.5b03524DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4843592PMC
July 2015

Artificial Diiron Enzymes with a De Novo Designed Four-Helix Bundle Structure.

Eur J Inorg Chem 2015 Jul 6;2015(21):3371-3390. Epub 2015 Jul 6.

Department of Chemical Sciences, University of Naples "Federico II", Via Cintia, 80126 Naples, Italy.

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http://dx.doi.org/10.1002/ejic.201500470DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5019575PMC
July 2015

Signal transduction in histidine kinases: insights from new structures.

Structure 2015 Jun 14;23(6):981-94. Epub 2015 May 14.

Department of Pharmaceutical Chemistry, Cardiovascular Research Institute, University of California, 555 Mission Bay Boulevard South, Box 3122, San Francisco, CA 94158, USA. Electronic address:

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http://dx.doi.org/10.1016/j.str.2015.04.002DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4456306PMC
June 2015

The αvβ1 integrin plays a critical in vivo role in tissue fibrosis.

Sci Transl Med 2015 May;7(288):288ra79

Department of Medicine, University of California, San Francisco, San Francisco, CA 94143, USA.

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http://dx.doi.org/10.1126/scitranslmed.aaa5094DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4461057PMC
May 2015

Computational design and experimental characterization of peptides intended for pH-dependent membrane insertion and pore formation.

ACS Chem Biol 2015 Apr 28;10(4):1082-93. Epub 2015 Jan 28.

§Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California 94158, United States.

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http://dx.doi.org/10.1021/cb500759pDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4843813PMC
April 2015

C-terminal juxtamembrane region of full-length M2 protein forms a membrane surface associated amphipathic helix.

Protein Sci 2015 Mar 14;24(3):426-9. Epub 2015 Jan 14.

Department of Chemistry and Biochemistry, Swarthmore College, Swarthmore, Pennsylvania, 19081.

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http://doi.wiley.com/10.1002/pro.2631
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http://dx.doi.org/10.1002/pro.2631DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4353368PMC
March 2015

The membrane- and soluble-protein helix-helix interactome: similar geometry via different interactions.

Structure 2015 Mar 19;23(3):527-541. Epub 2015 Feb 19.

Department of Pharmaceutical Chemistry, School of Pharmacy, University of California, San Francisco, San Francisco, CA 94158, USA. Electronic address:

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http://dx.doi.org/10.1016/j.str.2015.01.009DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4351763PMC
March 2015

Hydrogen-bonded water molecules in the M2 channel of the influenza A virus guide the binding preferences of ammonium-based inhibitors.

J Phys Chem B 2015 Jan 11;119(3):1173-83. Epub 2014 Nov 11.

Institute for Computational Molecular Science, Temple University , SERC Building, 1925 North 12th Street, Philadelphia, Pennsylvania 19122, United States.

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http://dx.doi.org/10.1021/jp506807yDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4386636PMC
January 2015

De novo design of a transmembrane Zn²⁺-transporting four-helix bundle.

Science 2014 Dec;346(6216):1520-4

Department of Pharmaceutical Chemistry, Cardiovascular Research Institute, University of California, San Francisco, San Francisco, CA 94158, USA.

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https://meihonglab.mit.edu/sites/default/files/documents/145
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http://www.sciencemag.org/cgi/doi/10.1126/science.1261172
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http://dx.doi.org/10.1126/science.1261172DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4400864PMC
December 2014

Specific aromatic foldamers potently inhibit spontaneous and seeded Aβ42 and Aβ43 fibril assembly.

Biochem J 2014 Nov;464(1):85-98

‡Department of Pharmaceutical Chemistry, University of California, San Francisco, CVRI-MC Box 3122, San Francisco, CA 94158-9001 U.S.A.

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http://biochemj.org/lookup/doi/10.1042/BJ20131609
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http://dx.doi.org/10.1042/BJ20131609DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4209162PMC
November 2014

Proton release from the histidine-tetrad in the M2 channel of the influenza A virus.

J Phys Chem B 2014 Nov 27;118(44):12644-51. Epub 2014 Oct 27.

Institute for Computational Molecular Science, Temple University , 1900 North 12th Street, Philadelphia, Pennsylvania 19122-6078, United States.

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http://dx.doi.org/10.1021/jp5102225DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4226308PMC
November 2014

Comparative mechanistic studies of brilacidin, daptomycin, and the antimicrobial peptide LL16.

Antimicrob Agents Chemother 2014 Sep 16;58(9):5136-45. Epub 2014 Jun 16.

Department of Pharmaceutical Chemistry and the Cardiovascular Research Institute, University of California, San Francisco, San Francisco, California, USA

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4135847PMC
September 2014

Cys-scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ.

Structure 2014 Sep 31;22(9):1239-1251. Epub 2014 Jul 31.

Department of Pharmaceutical Chemistry, Cardiovascular Research Institute, University of California, San Francisco, San Francisco, CA 94158, USA. Electronic address:

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4322757PMC
September 2014

Catalytic efficiency of designed catalytic proteins.

Curr Opin Struct Biol 2014 Aug 19;27:113-21. Epub 2014 Jul 19.

Department of Pharmaceutical Chemistry, University of California - San Francisco, San Francisco, CA 94158, United States.

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http://dx.doi.org/10.1016/j.sbi.2014.06.006DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4182119PMC
August 2014

Easily accessible polycyclic amines that inhibit the wild-type and amantadine-resistant mutants of the M2 channel of influenza A virus.

J Med Chem 2014 Jul 30;57(13):5738-47. Epub 2014 Jun 30.

Laboratori de Química Farmacèutica (Unitat Associada al CSIC), Facultat de Farmàcia, and Institute of Biomedicine (IBUB), Universitat de Barcelona , Av. Joan XXIII s/n, Barcelona E-08028, Spain.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4096222PMC
July 2014

Distinct synthetic Aβ prion strains producing different amyloid deposits in bigenic mice.

Proc Natl Acad Sci U S A 2014 Jul 30;111(28):10329-34. Epub 2014 Jun 30.

Institute for Neurodegenerative Diseases,Departments of Neurology and

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4104853PMC
July 2014

A real-time all-atom structural search engine for proteins.

PLoS Comput Biol 2014 Jul 31;10(7):e1003750. Epub 2014 Jul 31.

Cardiovascular Research Institute, University of California, San Francisco, San Francisco, California, United States of America.

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July 2014

Mechanistic insights from functional characterization of an unnatural His37 mutant of the influenza A/M2 protein.

Biochim Biophys Acta 2014 Apr 22;1838(4):1082-7. Epub 2013 Nov 22.

Department of Biochemistry and Biophysics, The Robert Wood Johnson Foundation, University of Pennsylvania, Perelman School of Medicine, Philadelphia, PA 19104, USA. Electronic address:

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April 2014

De novo design of self-assembling foldamers that inhibit heparin-protein interactions.

ACS Chem Biol 2014 Apr 11;9(4):967-75. Epub 2014 Feb 11.

Department of Biochemistry & Biophysics and ‡Department of Chemistry, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States.

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April 2014

Crystal structure of an amphiphilic foldamer reveals a 48-mer assembly comprising a hollow truncated octahedron.

Nat Commun 2014 Apr 7;5:3581. Epub 2014 Apr 7.

Department of Pharmaceutical Chemistry and the Cardiovascular Research Institute, University of California, CVRI-MC Box 3122, San Francisco, California 94158-9001, USA.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4013780PMC
April 2014

Slow folding-unfolding kinetics of an octameric β-peptide bundle.

ACS Chem Biol 2014 Jan 20;9(1):276-81. Epub 2013 Nov 20.

Department of Biochemistry & Biophysics, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States.

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January 2014

Structural Stability and Binding Strength of a Designed Peptide-Carbon Nanotube Hybrid.

J Phys Chem C Nanomater Interfaces 2013 Dec;117(49):26255-26261

Department of Chemical Engineering ; Bioengineering Program, Lehigh University.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3898491PMC
December 2013

Template-constrained cyclic sulfopeptide HIV-1 entry inhibitors.

Org Biomol Chem 2013 Nov;11(41):7096-100

Department of Biochemistry and Biophysics, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104, USA.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3889485PMC
November 2013

Asp44 stabilizes the Trp41 gate of the M2 proton channel of influenza A virus.

Structure 2013 Nov 17;21(11):2033-41. Epub 2013 Oct 17.

Department of Neurobiology, Northwestern University, Evanston, IL 60208-3500, USA; Department of Molecular Biosciences, Northwestern University, Evanston, IL 60208-3500, USA.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3927992PMC
November 2013

Assessment of local friction in protein folding dynamics using a helix cross-linker.

J Phys Chem B 2013 Nov 18;117(47):14688-96. Epub 2013 Nov 18.

Department of Chemistry and §Department of Biochemistry & Biophysics, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States.

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November 2013

3-Azatetracyclo[5.2.1.1(5,8).0(1,5)]undecane derivatives: from wild-type inhibitors of the M2 ion channel of influenza A virus to derivatives with potent activity against the V27A mutant.

J Med Chem 2013 Nov 15;56(22):9265-74. Epub 2013 Nov 15.

Laboratori de Química Farmacèutica (Unitat Associada al CSIC), Facultat de Farmàcia, and Institute of Biomedicine (IBUB), Universitat de Barcelona , Av. Joan XXIII s/n, Barcelona E-08028, Spain.

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November 2013

Nature-inspired design of motif-specific antibody scaffolds.

Nat Biotechnol 2013 Oct 18;31(10):916-21. Epub 2013 Aug 18.

Department of Pharmaceutical Chemistry, University of California, San Francisco, California, USA.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3795957PMC
October 2013

Influenza virus A M2 protein generates negative Gaussian membrane curvature necessary for budding and scission.

J Am Chem Soc 2013 Sep 6;135(37):13710-9. Epub 2013 Sep 6.

Department of Bioengineering, University of California, Los Angeles , Los Angeles, California 90095, United States.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4000230PMC
September 2013

Exploring Histidine Conformations in the M2 Channel Lumen of the Influenza A Virus at Neutral pH via Molecular Simulations.

J Phys Chem Lett 2013 Sep 28;4(18):3067-3071. Epub 2013 Aug 28.

Institute for Computational Molecular Science, Temple University , 1900 North 12th Street, Philadelphia, Pennsylvania 19122-6078, United States.

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September 2013

Nanosecond Dynamics of InfluenzaA/M2TM and an Amantadine Resistant Mutant Probed by Time-Dependent Red Shifts of a Native Tryptophan.

Chem Phys 2013 Aug;422

Center for Advanced Biotechnology and Medicine, Robert Wood Johnson Medical School - UMDNJ, Piscataway, New Jersey 08854 ; Department of Biochemistry, Robert Wood Johnson Medical School - UMDNJ, Piscataway, New Jersey 08854.

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August 2013

An assay suitable for high throughput screening of anti-influenza drugs.

PLoS One 2013 10;8(1):e54070. Epub 2013 Jan 10.

Department of Biochemistry and Center for Advanced Biotechnology and Medicine, Robert Wood Johnson Medical School, Piscataway, New Jersey, United States of America.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3542334PMC
July 2013

Assembly of the transmembrane domain of E. coli PhoQ histidine kinase: implications for signal transduction from molecular simulations.

PLoS Comput Biol 2013 24;9(1):e1002878. Epub 2013 Jan 24.

Laboratory for Biomolecular Modeling, Institute of Bioengineering, School of Life Sciences, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3554529PMC
June 2013

Agrobacterium tumefaciens recognizes its host environment using ChvE to bind diverse plant sugars as virulence signals.

Proc Natl Acad Sci U S A 2013 Jan 24;110(2):678-83. Epub 2012 Dec 24.

Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, PA 19104, USA.

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http://dx.doi.org/10.1073/pnas.1215033110DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3545744PMC
January 2013

Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.

Proc Natl Acad Sci U S A 2013 Jan 9;110(4):1315-20. Epub 2013 Jan 9.

Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158-9001, USA.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3557100PMC
January 2013