G. Marius Clore, M.D., Ph.D., FRS, NIH Distinguished Investigator

Section Chief: Section of Molecular and Structural Biophysics, Laboratory of Chemical Physics

Scientific Focus Areas: Biomedical Engineering and Biophysics, Structural Biology

mariusc@intra.niddk.nih.gov 301-496-0782 ResearchGate Google Scholar ORCID Add to Contacts

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Publications

A selection of recent and significant publications can be viewed below.

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Nucleation of Huntingtin Aggregation Proceeds via Conformational Conversion of Pre-Formed, Sparsely-Populated Tetramers.

Torricella F, Tugarinov V, Clore GM.

Adv Sci (Weinh) (2024 Mar 12) e2309217. Abstract/Full Text

Time-resolved DEER EPR and solid-state NMR afford kinetic and structural elucidation of substrate binding to Ca(2+)-ligated calmodulin.

Schmidt T, Jeon J, Yau WM, Schwieters CD, Tycko R, Clore GM.

Proc Natl Acad Sci U S A (2022 Feb 8) 119. Abstract/Full Text

Atomic view of cosolute-induced protein denaturation probed by NMR solvent paramagnetic relaxation enhancement.

Okuno Y, Yoo J, Schwieters CD, Best RB, Chung HS, Clore GM.

Proc Natl Acad Sci U S A (2021 Aug 24) 118. Abstract/Full Text

Probing initial transient oligomerization events facilitating Huntingtin fibril nucleation at atomic resolution by relaxation-based NMR.

Kotler SA, Tugarinov V, Schmidt T, Ceccon A, Libich DS, Ghirlando R, Schwieters CD, Clore GM.

Proc Natl Acad Sci U S A (2019 Feb 26) 116:3562-3571. Abstract/Full Text

Unraveling the structure and dynamics of the human DNAJB6b chaperone by NMR reveals insights into Hsp40-mediated proteostasis.

Karamanos TK, Tugarinov V, Clore GM.

Proc Natl Acad Sci U S A (2019 Oct 22) 116:21529-21538. Abstract/Full Text

Additional Publications

Interaction of Huntingtin Exon-1 Peptides with Lipid-Based Micellar Nanoparticles Probed by Solution NMR and Q-Band Pulsed EPR.

Ceccon A, Schmidt T, Tugarinov V, Kotler SA, Schwieters CD, Clore GM.

J Am Chem Soc (2018 May 23) 140:6199-6202. Abstract/Full Text

Probing Conformational States of the Finger and Thumb Subdomains of HIV-1 Reverse Transcriptase Using Double Electron-Electron Resonance Electron Paramagnetic Resonance Spectroscopy.

Schmidt T, Tian L, Clore GM.

Biochemistry (2018 Feb 6) 57:489-493. Abstract/Full Text

Xplor-NIH for molecular structure determination from NMR and other data sources.

Schwieters CD, Bermejo GA, Clore GM.

Protein Sci (2018 Jan) 27:26-40. Abstract/Full Text

Chaperonin GroEL accelerates protofibril formation and decorates fibrils of the Het-s prion protein.

Wälti MA, Schmidt T, Murray DT, Wang H, Hinshaw JE, Clore GM.

Proc Natl Acad Sci U S A (2017 Aug 22) 114:9104-9109. Abstract/Full Text

Probing the Binding Modes of a Multidomain Protein to Lipid-based Nanoparticles by Relaxation-based NMR.

Ceccon A, Tugarinov V, Boughton AJ, Fushman D, Clore GM.

J Phys Chem Lett (2017 Jun 1) 8:2535-2540. Abstract/Full Text

Confinement and Stabilization of Fyn SH3 Folding Intermediate Mimetics within the Cavity of the Chaperonin GroEL Demonstrated by Relaxation-Based NMR.

Libich DS, Tugarinov V, Ghirlando R, Clore GM.

Biochemistry (2017 Feb 21) 56:903-906. Abstract/Full Text

Long Distance Measurements up to 160 Å in the GroEL Tetradecamer Using Q-Band DEER EPR Spectroscopy.

Schmidt T, Wälti MA, Baber JL, Hustedt EJ, Clore GM.

Angew Chem Int Ed Engl (2016 Dec 19) 55:15905-15909. Abstract/Full Text

Quantitative Resolution of Monomer-Dimer Populations by Inversion Modulated DEER EPR Spectroscopy.

Schmidt T, Ghirlando R, Baber J, Clore GM.

Chemphyschem (2016 Oct 5) 17:2987-2991. Abstract/Full Text

Hybrid Approaches to Structural Characterization of Conformational Ensembles of Complex Macromolecular Systems Combining NMR Residual Dipolar Couplings and Solution X-ray Scattering.

Venditti V, Egner TK, Clore GM.

Chem Rev (2016 Jun 8) 116:6305-22. Abstract/Full Text

Quantitative Characterization of Configurational Space Sampled by HIV-1 Nucleocapsid Using Solution NMR, X-ray Scattering and Protein Engineering.

Deshmukh L, Schwieters CD, Grishaev A, Clore GM.

Chemphyschem (2016 Jun 3) 17:1548-52. Abstract/Full Text

Global Dynamics and Exchange Kinetics of a Protein on the Surface of Nanoparticles Revealed by Relaxation-Based Solution NMR Spectroscopy.

Ceccon A, Tugarinov V, Bax A, Clore GM.

J Am Chem Soc (2016 May 11) 138:5789-92. Abstract/Full Text

Improving NMR Structures of RNA.

Bermejo GA, Clore GM, Schwieters CD.

Structure (2016 May 3) 24:806-815. Abstract/Full Text

Dynamic equilibrium between closed and partially closed states of the bacterial Enzyme I unveiled by solution NMR and X-ray scattering.

Venditti V, Schwieters CD, Grishaev A, Clore GM.

Proc Natl Acad Sci U S A (2015 Sep 15) 112:11565-70. Abstract/Full Text

The energetics of a three-state protein folding system probed by high-pressure relaxation dispersion NMR spectroscopy.

Tugarinov V, Libich DS, Meyer V, Roche J, Clore GM.

Angew Chem Int Ed Engl (2015 Sep 14) 54:11157-61. Abstract/Full Text

Mutations Proximal to Sites of Autoproteolysis and the α-Helix That Co-evolve under Drug Pressure Modulate the Autoprocessing and Vitality of HIV-1 Protease.

Louis JM, Deshmukh L, Sayer JM, Aniana A, Clore GM.

Biochemistry (2015 Sep 8) 54:5414-24. Abstract/Full Text

Dependence of distance distributions derived from double electron-electron resonance pulsed EPR spectroscopy on pulse-sequence time.

Baber JL, Louis JM, Clore GM.

Angew Chem Int Ed Engl (2015 Apr 27) 54:5336-9. Abstract/Full Text

Conformation and dynamics of the Gag polyprotein of the human immunodeficiency virus 1 studied by NMR spectroscopy.

Deshmukh L, Ghirlando R, Clore GM.

Proc Natl Acad Sci U S A (2015 Mar 17) 112:3374-9. Abstract/Full Text

Visualizing transient dark states by NMR spectroscopy.

Anthis NJ, Clore GM.

Q Rev Biophys (2015 Feb) 48:35-116. Abstract/Full Text

Large interdomain rearrangement triggered by suppression of micro- to millisecond dynamics in bacterial Enzyme I.

Venditti V, Tugarinov V, Schwieters CD, Grishaev A, Clore GM.

Nat Commun (2015 Jan 12) 6:5960. Abstract/Full Text

Probing the rate-limiting step for intramolecular transfer of a transcription factor between specific sites on the same DNA molecule by (15)Nz-exchange NMR spectroscopy.

Ryu KS, Tugarinov V, Clore GM.

J Am Chem Soc (2014 Oct 15) 136:14369-72. Abstract/Full Text

Characterizing methyl-bearing side chain contacts and dynamics mediating amyloid β protofibril interactions using ¹³C(methyl)-DEST and lifetime line broadening.

Fawzi NL, Libich DS, Ying J, Tugarinov V, Clore GM.

Angew Chem Int Ed Engl (2014 Sep 22) 53:10345-9. Abstract/Full Text

Using small angle solution scattering data in Xplor-NIH structure calculations.

Schwieters CD, Clore GM.

Prog Nucl Magn Reson Spectrosc (2014 Jul) 80:1-11. Abstract/Full Text

Investigation of the structure and dynamics of the capsid-spacer peptide 1-nucleocapsid fragment of the HIV-1 gag polyprotein by solution NMR spectroscopy.

Deshmukh L, Ghirlando R, Clore GM.

Angew Chem Int Ed Engl (2014 Jan 20) 53:1025-8. Abstract/Full Text

Structure and dynamics of full-length HIV-1 capsid protein in solution.

Deshmukh L, Schwieters CD, Grishaev A, Ghirlando R, Baber JL, Clore GM.

J Am Chem Soc (2013 Oct 30) 135:16133-47. Abstract/Full Text

Structure, dynamics and biophysics of the cytoplasmic protein-protein complexes of the bacterial phosphoenolpyruvate: sugar phosphotransferase system.

Clore GM, Venditti V.

Trends Biochem Sci (2013 Oct) 38:515-30. Abstract/Full Text

Probing the transient dark state of substrate binding to GroEL by relaxation-based solution NMR.

Libich DS, Fawzi NL, Ying J, Clore GM.

Proc Natl Acad Sci U S A (2013 Jul 9) 110:11361-6. Abstract/Full Text

The length of the calmodulin linker determines the extent of transient interdomain association and target affinity.

Anthis NJ, Clore GM.

J Am Chem Soc (2013 Jul 3) 135:9648-51. Abstract/Full Text

Sequence-specific determination of protein and peptide concentrations by absorbance at 205 nm.

Anthis NJ, Clore GM.

Protein Sci (2013 Jun) 22:851-8. Abstract/Full Text

Structural basis for enzyme I inhibition by α-ketoglutarate.

Venditti V, Ghirlando R, Clore GM.

ACS Chem Biol (2013) 8:1232-40. Abstract/Full Text

Smooth statistical torsion angle potential derived from a large conformational database via adaptive kernel density estimation improves the quality of NMR protein structures.

Bermejo GA, Clore GM, Schwieters CD.

Protein Sci (2012 Dec) 21:1824-36. Abstract/Full Text

Contrast-matched small-angle X-ray scattering from a heavy-atom-labeled protein in structure determination: application to a lead-substituted calmodulin-peptide complex.

Grishaev A, Anthis NJ, Clore GM.

J Am Chem Soc (2012 Sep 12) 134:14686-9. Abstract/Full Text

Impact of protein/protein interactions on global intermolecular translocation rates of the transcription factors Sox2 and Oct1 between DNA cognate sites analyzed by z-exchange NMR spectroscopy.

Takayama Y, Clore GM.

J Biol Chem (2012 Aug 3) 287:26962-70. Abstract/Full Text

Conformational selection and substrate binding regulate the monomer/dimer equilibrium of the C-terminal domain of Escherichia coli enzyme I.

Venditti V, Clore GM.

J Biol Chem (2012 Aug 3) 287:26989-98. Abstract/Full Text

Probing exchange kinetics and atomic resolution dynamics in high-molecular-weight complexes using dark-state exchange saturation transfer NMR spectroscopy.

Fawzi NL, Ying J, Torchia DA, Clore GM.

Nat Protoc (2012 Jul 19) 7:1523-33. Abstract/Full Text

Solution structure of the IIAChitobiose-HPr complex of the N,N'-diacetylchitobiose branch of the Escherichia coli phosphotransferase system.

Jung YS, Cai M, Clore GM.

J Biol Chem (2012 Jul 6) 287:23819-29. Abstract/Full Text

Interplay between minor and major groove-binding transcription factors Sox2 and Oct1 in translocation on DNA studied by paramagnetic and diamagnetic NMR.

Takayama Y, Clore GM.

J Biol Chem (2012 Apr 27) 287:14349-63. Abstract/Full Text

Transient, sparsely populated compact states of apo and calcium-loaded calmodulin probed by paramagnetic relaxation enhancement: interplay of conformational selection and induced fit.

Anthis NJ, Doucleff M, Clore GM.

J Am Chem Soc (2011 Nov 23) 133:18966-74. Abstract/Full Text

Atomic-resolution dynamics on the surface of amyloid-β protofibrils probed by solution NMR.

Fawzi NL, Ying J, Ghirlando R, Torchia DA, Clore GM.

Nature (2011 Oct 30) 480:268-72. Abstract/Full Text

Intra- and intermolecular translocation of the bi-domain transcription factor Oct1 characterized by liquid crystal and paramagnetic NMR.

Takayama Y, Clore GM.

Proc Natl Acad Sci U S A (2011 May 31) 108:E169-76. Abstract/Full Text

Structure-independent analysis of the breadth of the positional distribution of disordered groups in macromolecules from order parameters for long, variable-length vectors using NMR paramagnetic relaxation enhancement.

Iwahara J, Clore GM.

J Am Chem Soc (2010 Sep 29) 132:13346-56. Abstract/Full Text

Solution structure of the 128 kDa enzyme I dimer from Escherichia coli and its 146 kDa complex with HPr using residual dipolar couplings and small- and wide-angle X-ray scattering.

Schwieters CD, Suh JY, Grishaev A, Ghirlando R, Takayama Y, Clore GM.

J Am Chem Soc (2010 Sep 22) 132:13026-45. Abstract/Full Text

Kinetics of amyloid beta monomer-to-oligomer exchange by NMR relaxation.

Fawzi NL, Ying J, Torchia DA, Clore GM.

J Am Chem Soc (2010 Jul 28) 132:9948-51. Abstract/Full Text

Mechanistic details of a protein-protein association pathway revealed by paramagnetic relaxation enhancement titration measurements.

Fawzi NL, Doucleff M, Suh JY, Clore GM.

Proc Natl Acad Sci U S A (2010 Jan 26) 107:1379-84. Abstract/Full Text

Theory, practice, and applications of paramagnetic relaxation enhancement for the characterization of transient low-population states of biological macromolecules and their complexes.

Clore GM, Iwahara J.

Chem Rev (2009 Sep) 109:4108-39. Abstract/Full Text

Global jumping and domain-specific intersegment transfer between DNA cognate sites of the multidomain transcription factor Oct-1.

Doucleff M, Clore GM.

Proc Natl Acad Sci U S A (2008 Sep 16) 105:13871-6. Abstract/Full Text