Center on Macromolecular Dynamics by NMR Spectroscopy

The Center on Macromolecular Dynamics by NMR Spectroscopy (CoMD/NMR) is a Biomedical Technology Development and Dissemination (BTDD) Center supported by U.S. National Institutes of Health grant 1RM1 GM145397 and located at the New York Structural Biology Center (NYSBC). The mission of CoMD/NMR is to develop methods for studying how the conformations and dynamics of proteins, nucleic acids mediate their biological functions, when bound to drugs or toxins, or when diseases occur. CoMD/NMR uses NMR spectrometers, machines very similar to MRI machines used by physicians to provide pictures of the human body. NYSBC has nine NMR spectrometers of different sizes and is one of the largest such centers in the world. Scientists at CoMD/NMR research and implement new methods for performing such studies and assist scientists from around the U.S. in using NMR spectroscopy in their own research. Technology developed at CoMD/NMR has been used to study amyloid diseases, behavior of protein ion channels in the nervous system, formation of distinct tissues during development of the mammalian body, function and regulation of proteins involved in metabolism, and other biological processes.

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News and Events

CoMD/NMR History

CoMD/NMR is founded as a BTRR Center on June 1, 2017.
CoMD/NMR continues as a BTDD Center on July 1, 2022.

Education

NMR Spectroscopy of Macromolecules taught at NYSBC, Spring 2024.

Software

Ring Dynamics software V1.19 released 02/02/2024

Conferences

Visit CoMD/NMR at ENC (Willow Living Room, First Floor)

Recent Publications

NMRFx: Integrated Software for NMR Data Processing, Visualization, Analysis and Structure Calculation.
Koag E, Hulse SG, Helms GL, Call KM, Summers MF, Marchant J, Johnson BA bioRxiv : the preprint server for biology 2025 Aug 29

An A-T Hoogsteen Base Pair in a Naked DNA Hairpin Motif: A Protein-Recognized Conformation.
Guseva S, Szekely O, Geng A, Smith K, Pratihar S, Lee Y, Li L, Korn SM, Gu S, Al-Hashimi HM Angewandte Chemie (International ed. in English) 64 e202425067 2025 Jun 17

Spatially resolved DNP-assisted NMR illuminates the conformational ensemble of α-synuclein in intact viable cells.
Kragelj J, Ghosh R, Xiao Y, Dumarieh R, Lagasca D, Krishna S, Frederick KK Proceedings of the National Academy of Sciences of the United States of America 122 e2500367122 2025 Jun 10

Binding of small molecules at the P-stalk site of ricin A subunit trigger conformational changes that extend into the active site.
McLaughlin JE, Rudolph MJ, Dutta A, Li XP, Tsymbal AM, Chen Y, Bhattacharya S, Algava B, Goger M, Roberge JY, Tumer NE The Journal of biological chemistry 301 108310 2025 Mar

Allosteric regulation of the tyrosine phosphatase PTP1B by a protein-protein interaction.
Chartier CA, Woods VA, Xu Y, van Vlimmeren AE, Johns AC, Jovanovic M, McDermott AE, Keedy DA, Shah NH Protein science : a publication of the Protein Society 34 e70016 2025 Jan

Deuterium spin relaxation of fractionally deuterated ribonuclease H using paired 475 and 950 MHz NMR spectrometers.
Bhattacharya S, Varney KM, Dahmane T, Johnson BA, Weber DJ, Palmer AG 3rd Journal of biomolecular NMR 78 169-177 2024 Sep

Resolution in cryogenic solid state NMR: Challenges and solutions.
Sergeyev IV, Fritzsching K, Rogawski R, McDermott A Protein science : a publication of the Protein Society 33 e4803 2024 Jul

(1)H, (13)C, and (15)N backbone and methyl group resonance assignments of ricin toxin A subunit.
Bhattacharya S, Dahmane T, Goger MJ, Rudolph MJ, Tumer NE Biomolecular NMR assignments 18 85-91 2024 Jun

Quantitative and systematic NMR measurements of sequence-dependent A-T Hoogsteen dynamics uncovers unique conformational specificity in the DNA double helix.
Manghrani A, Rangadurai AK, Szekely O, Liu B, Guseva S, Al-Hashimi HM bioRxiv : the preprint server for biology 2024 May 15

All CoMD/NMR publications at PubMed