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

Dregni AJ, Mandala VS, Wu H, Elkins MR, Wang HK, Hung I, DeGrado WF, Hong M.

Proc Natl Acad Sci U S A. 2019 Aug 13;116(33):16357-16366. doi: 10.1073/pnas.1906839116. Epub 2019 Jul 29.


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

Tan SK, Fong KP, Polizzi NF, Sternisha A, Slusky JSG, Yoon K, DeGrado WF, Bennett JS.

Biochemistry. 2019 Jul 30;58(30):3251-3259. doi: 10.1021/acs.biochem.9b00430. Epub 2019 Jul 12.


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

Watkins LC, Liang R, Swanson JMJ, DeGrado WF, Voth GA.

J Am Chem Soc. 2019 Jul 24;141(29):11667-11676. doi: 10.1021/jacs.9b05136. Epub 2019 Jul 12.


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

Thomaston JL, Wu Y, Polizzi N, Liu L, Wang J, DeGrado WF.

J Am Chem Soc. 2019 Jul 24;141(29):11481-11488. doi: 10.1021/jacs.9b02196. Epub 2019 Jul 11.


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

Litvinov RI, Mravic M, Zhu H, Weisel JW, DeGrado WF, Bennett JS.

Proc Natl Acad Sci U S A. 2019 Jun 18;116(25):12295-12300. doi: 10.1073/pnas.1904867116. Epub 2019 Jun 3. Erratum in: Proc Natl Acad Sci U S A. 2019 Jun 24;:.


Aβ and tau prion-like activities decline with longevity in the Alzheimer's disease human brain.

Aoyagi A, Condello C, Stöhr J, Yue W, Rivera BM, Lee JC, Woerman AL, Halliday G, van Duinen S, Ingelsson M, Lannfelt L, Graff C, Bird TD, Keene CD, Seeley WW, DeGrado WF, Prusiner SB.

Sci Transl Med. 2019 May 1;11(490). pii: eaat8462. doi: 10.1126/scitranslmed.aat8462.


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

Yang B, Wang N, Schnier PD, Zheng F, Zhu H, Polizzi NF, Ittuveetil A, Saikam V, DeGrado WF, Wang Q, Wang PG, Wang L.

J Am Chem Soc. 2019 May 15;141(19):7698-7703. doi: 10.1021/jacs.9b02611. Epub 2019 May 3.


Glutamine Side Chain 13C═18O as a Nonperturbative IR Probe of Amyloid Fibril Hydration and Assembly.

Wu H, Saltzberg DJ, Kratochvil HT, Jo H, Sali A, DeGrado WF.

J Am Chem Soc. 2019 May 8;141(18):7320-7326. doi: 10.1021/jacs.9b00577. Epub 2019 Apr 24.


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

Lombardi A, Pirro F, Maglio O, Chino M, DeGrado WF.

Acc Chem Res. 2019 May 21;52(5):1148-1159. doi: 10.1021/acs.accounts.8b00674. Epub 2019 Apr 11.


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

Zhang K, Ahmed IA, Kratochvil HT, DeGrado WF, Gai F, Jo H.

Chem Commun (Camb). 2019 Apr 25;55(35):5095-5098. doi: 10.1039/c9cc01152h.


SNAC-tag for sequence-specific chemical protein cleavage.

Dang B, Mravic M, Hu H, Schmidt N, Mensa B, DeGrado WF.

Nat Methods. 2019 Apr;16(4):319-322. doi: 10.1038/s41592-019-0357-3. Epub 2019 Mar 25.


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

Mravic M, Thomaston JL, Tucker M, Solomon PE, Liu L, DeGrado WF.

Science. 2019 Mar 29;363(6434):1418-1423. doi: 10.1126/science.aav7541.


4-Cyanoindole-2'-deoxyribonucleoside as a Dual Fluorescence and Infrared Probe of DNA Structure and Dynamics.

Ahmed IA, Acharyya A, Eng CM, Rodgers JM, DeGrado WF, Jo H, Gai F.

Molecules. 2019 Feb 8;24(3). pii: E602. doi: 10.3390/molecules24030602.


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

Acharyya A, Ge Y, Wu H, DeGrado WF, Voelz VA, Gai F.

J Phys Chem B. 2019 Feb 28;123(8):1797-1807. doi: 10.1021/acs.jpcb.8b12220. Epub 2019 Feb 14.


Actionable Activating Oncogenic ERBB2/HER2 Transmembrane and Juxtamembrane Domain Mutations.

Pahuja KB, Nguyen TT, Jaiswal BS, Prabhash K, Thaker TM, Senger K, Chaudhuri S, Kljavin NM, Antony A, Phalke S, Kumar P, Mravic M, Stawiski EW, Vargas D, Durinck S, Gupta R, Khanna-Gupta A, Trabucco SE, Sokol ES, Hartmaier RJ, Singh A, Chougule A, Trivedi V, Dutt A, Patil V, Joshi A, Noronha V, Ziai J, Banavali SD, Ramprasad V, DeGrado WF, Bueno R, Jura N, Seshagiri S.

Cancer Cell. 2018 Nov 12;34(5):792-806.e5. doi: 10.1016/j.ccell.2018.09.010. Epub 2018 Oct 25.


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

Yang B, Wu H, Schnier PD, Liu Y, Liu J, Wang N, DeGrado WF, Wang L.

Proc Natl Acad Sci U S A. 2018 Oct 30;115(44):11162-11167. doi: 10.1073/pnas.1813574115. Epub 2018 Oct 15.


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

Chino M, Zhang SQ, Pirro F, Leone L, Maglio O, Lombardi A, DeGrado WF.

Biopolymers. 2018 Aug;109(10):e23339. doi: 10.1002/bip.23229. Epub 2018 Sep 11.


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

Thomaston JL, Polizzi NF, Konstantinidi A, Wang J, Kolocouris A, DeGrado WF.

J Am Chem Soc. 2018 Nov 14;140(45):15219-15226. doi: 10.1021/jacs.8b06741. Epub 2018 Sep 12.


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

Liu J, Cheng R, Wu H, Li S, Wang PG, DeGrado WF, Rozovsky S, Wang L.

Angew Chem Int Ed Engl. 2018 Sep 24;57(39):12702-12706. doi: 10.1002/anie.201806197. Epub 2018 Sep 5.


Entry from the Lipid Bilayer: A Possible Pathway for Inhibition of a Peptide G Protein-Coupled Receptor by a Lipophilic Small Molecule.

Bokoch MP, Jo H, Valcourt JR, Srinivasan Y, Pan AC, Capponi S, Grabe M, Dror RO, Shaw DE, DeGrado WF, Coughlin SR.

Biochemistry. 2018 Oct 2;57(39):5748-5758. doi: 10.1021/acs.biochem.8b00577. Epub 2018 Aug 27.


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

Zhang SQ, Huang H, Yang J, Kratochvil HT, Lolicato M, Liu Y, Shu X, Liu L, DeGrado WF.

Nat Chem Biol. 2018 Sep;14(9):870-875. doi: 10.1038/s41589-018-0105-5. Epub 2018 Jul 30.


De novo designed transmembrane peptides activating the α5β1 integrin.

Mravic M, Hu H, Lu Z, Bennett JS, Sanders CR, Orr AW, DeGrado WF.

Protein Eng Des Sel. 2018 May 1;31(5):181-190. doi: 10.1093/protein/gzy014.


Peptide-Programmable Nanoparticle Superstructures with Tailored Electrocatalytic Activity.

Kang ES, Kim YT, Ko YS, Kim NH, Cho G, Huh YH, Kim JH, Nam J, Thach TT, Youn D, Kim YD, Yun WS, DeGrado WF, Kim SY, Hammond PT, Lee J, Kwon YU, Ha DH, Kim YH.

ACS Nano. 2018 Jul 24;12(7):6554-6562. doi: 10.1021/acsnano.8b01146. Epub 2018 Jun 4.


Structure and Function of the Transmembrane Domain of NsaS, an Antibiotic Sensing Histidine Kinase in Staphylococcus aureus.

Bhate MP, Lemmin T, Kuenze G, Mensa B, Ganguly S, Peters JM, Schmidt N, Pelton JG, Gross CA, Meiler J, DeGrado WF.

J Am Chem Soc. 2018 Jun 20;140(24):7471-7485. doi: 10.1021/jacs.7b09670. Epub 2018 Jun 9.


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

Wu H, Acharyya A, Wu Y, Liu L, Jo H, Gai F, DeGrado WF.

Chembiochem. 2018 May 4;19(9):902-906. doi: 10.1002/cbic.201800026. Epub 2018 Mar 22.


A long-lived Aβ oligomer resistant to fibrillization.

Nick M, Wu Y, Schmidt NW, Prusiner SB, Stöhr J, DeGrado WF.

Biopolymers. 2018 Aug;109(8):e23096. doi: 10.1002/bip.23096. Epub 2018 Jan 10.


Structural heterogeneity and intersubject variability of Aβ in familial and sporadic Alzheimer's disease.

Condello C, Lemmin T, Stöhr J, Nick M, Wu Y, Maxwell AM, Watts JC, Caro CD, Oehler A, Keene CD, Bird TD, van Duinen SG, Lannfelt L, Ingelsson M, Graff C, Giles K, DeGrado WF, Prusiner SB.

Proc Natl Acad Sci U S A. 2018 Jan 23;115(4):E782-E791. doi: 10.1073/pnas.1714966115. Epub 2018 Jan 8.


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

Yang B, Tang S, Ma C, Li ST, Shao GC, Dang B, DeGrado WF, Dong MQ, Wang PG, Ding S, Wang L.

Nat Commun. 2017 Dec 21;8(1):2240. doi: 10.1038/s41467-017-02409-z.


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

Zhang SQ, Chino M, Liu L, Tang Y, Hu X, DeGrado WF, Lombardi A.

J Am Chem Soc. 2018 Jan 31;140(4):1294-1304. doi: 10.1021/jacs.7b08261. Epub 2018 Jan 22.


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

Polizzi NF, Wu Y, Lemmin T, Maxwell AM, Zhang SQ, Rawson J, Beratan DN, Therien MJ, DeGrado WF.

Nat Chem. 2017 Dec;9(12):1157-1164. doi: 10.1038/nchem.2846. Epub 2017 Aug 21.


Self-assembling dipeptide antibacterial nanostructures with membrane disrupting activity.

Schnaider L, Brahmachari S, Schmidt NW, Mensa B, Shaham-Niv S, Bychenko D, Adler-Abramovich L, Shimon LJW, Kolusheva S, DeGrado WF, Gazit E.

Nat Commun. 2017 Nov 8;8(1):1365. doi: 10.1038/s41467-017-01447-x.


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

Dang B, Wu H, Mulligan VK, Mravic M, Wu Y, Lemmin T, Ford A, Silva DA, Baker D, DeGrado WF.

Proc Natl Acad Sci U S A. 2017 Oct 10;114(41):10852-10857. doi: 10.1073/pnas.1710695114. Epub 2017 Sep 25.


A 31-residue peptide induces aggregation of tau's microtubule-binding region in cells.

Stöhr J, Wu H, Nick M, Wu Y, Bhate M, Condello C, Johnson N, Rodgers J, Lemmin T, Acharya S, Becker J, Robinson K, Kelly MJS, Gai F, Stubbs G, Prusiner SB, DeGrado WF.

Nat Chem. 2017 Sep;9(9):874-881. doi: 10.1038/nchem.2754. Epub 2017 Apr 3.


XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.

Thomaston JL, Woldeyes RA, Nakane T, Yamashita A, Tanaka T, Koiwai K, Brewster AS, Barad BA, Chen Y, Lemmin T, Uervirojnangkoorn M, Arima T, Kobayashi J, Masuda T, Suzuki M, Sugahara M, Sauter NK, Tanaka R, Nureki O, Tono K, Joti Y, Nango E, Iwata S, Yumoto F, Fraser JS, DeGrado WF.

Proc Natl Acad Sci U S A. 2017 Dec 19;114(51):13357-13362. doi: 10.1073/pnas.1705624114. Epub 2017 Aug 23.


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

Joh NH, Grigoryan G, Wu Y, DeGrado WF.

Philos Trans R Soc Lond B Biol Sci. 2017 Aug 5;372(1726). pii: 20160214. doi: 10.1098/rstb.2016.0214. Review.


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

Lee M, Wang T, Makhlynets OV, Wu Y, Polizzi NF, Wu H, Gosavi PM, Stöhr J, Korendovych IV, DeGrado WF, Hong M.

Proc Natl Acad Sci U S A. 2017 Jun 13;114(24):6191-6196. doi: 10.1073/pnas.1706179114. Epub 2017 May 31.


Blue fluorescent amino acid for biological spectroscopy and microscopy.

Hilaire MR, Ahmed IA, Lin CW, Jo H, DeGrado WF, Gai F.

Proc Natl Acad Sci U S A. 2017 Jun 6;114(23):6005-6009. doi: 10.1073/pnas.1705586114. Epub 2017 May 22.


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

Wang T, Jo H, DeGrado WF, Hong M.

J Am Chem Soc. 2017 May 3;139(17):6242-6252. doi: 10.1021/jacs.7b02089. Epub 2017 Apr 21.


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

Lin CW, Mensa B, Barniol-Xicota M, DeGrado WF, Gai F.

Angew Chem Int Ed Engl. 2017 May 2;56(19):5283-5287. doi: 10.1002/anie.201701874. Epub 2017 Apr 4.


Stapled Voltage-Gated Calcium Channel (CaV) α-Interaction Domain (AID) Peptides Act As Selective Protein-Protein Interaction Inhibitors of CaV Function.

Findeisen F, Campiglio M, Jo H, Abderemane-Ali F, Rumpf CH, Pope L, Rossen ND, Flucher BE, DeGrado WF, Minor DL Jr.

ACS Chem Neurosci. 2017 Jun 21;8(6):1313-1326. doi: 10.1021/acschemneuro.6b00454. Epub 2017 Mar 17.


Pharmacologic Blockade of αvβ1 Integrin Ameliorates Renal Failure and Fibrosis In Vivo.

Chang Y, Lau WL, Jo H, Tsujino K, Gewin L, Reed NI, Atakilit A, Nunes ACF, DeGrado WF, Sheppard D.

J Am Soc Nephrol. 2017 Jul;28(7):1998-2005. doi: 10.1681/ASN.2015050585. Epub 2017 Feb 20.


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

Hu Y, Musharrafieh R, Ma C, Zhang J, Smee DF, DeGrado WF, Wang J.

Antiviral Res. 2017 Apr;140:45-54. doi: 10.1016/j.antiviral.2017.01.006. Epub 2017 Jan 10.


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

Schmidt NW, Grigoryan G, DeGrado WF.

Protein Sci. 2017 Mar;26(3):414-435. doi: 10.1002/pro.3095. Epub 2017 Feb 23. Review.


Acid activation mechanism of the influenza A M2 proton channel.

Liang R, Swanson JMJ, Madsen JJ, Hong M, DeGrado WF, Voth GA.

Proc Natl Acad Sci U S A. 2016 Nov 8;113(45):E6955-E6964. doi: 10.1073/pnas.1615471113. Epub 2016 Oct 24.


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

Reed NI, Tang YZ, McIntosh J, Wu Y, Molnar KS, Civitavecchia A, Sheppard D, DeGrado WF, Jo H.

ACS Med Chem Lett. 2016 Aug 30;7(10):902-907. eCollection 2016 Oct 13.


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

Markiewicz BN, Lemmin T, Zhang W, Ahmed IA, Jo H, Fiorin G, Troxler T, DeGrado WF, Gai F.

Phys Chem Chem Phys. 2016 Oct 19;18(41):28939-28950.


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

Elkins MR, Wang T, Nick M, Jo H, Lemmin T, Prusiner SB, DeGrado WF, Stöhr J, Hong M.

J Am Chem Soc. 2016 Aug 10;138(31):9840-52. doi: 10.1021/jacs.6b03715. Epub 2016 Jul 28.


Graphene Symmetry Amplified by Designed Peptide Self-Assembly.

Mustata GM, Kim YH, Zhang J, DeGrado WF, Grigoryan G, Wanunu M.

Biophys J. 2016 Jun 7;110(11):2507-2516. doi: 10.1016/j.bpj.2016.04.037.


Photoactivatable protein labeling by singlet oxygen mediated reactions.

To TL, Medzihradszky KF, Burlingame AL, DeGrado WF, Jo H, Shu X.

Bioorg Med Chem Lett. 2016 Jul 15;26(14):3359-3363. doi: 10.1016/j.bmcl.2016.05.034. Epub 2016 May 12.


Protein-directed self-assembly of a fullerene crystal.

Kim KH, Ko DK, Kim YT, Kim NH, Paul J, Zhang SQ, Murray CB, Acharya R, DeGrado WF, Kim YH, Grigoryan G.

Nat Commun. 2016 Apr 26;7:11429. doi: 10.1038/ncomms11429.

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