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  1. 1.   Optimization of the PROTAC linker region of the proteasome substrate receptor hRpn13 rationalized structural modeling with molecular dynamics
  2. Lu,Xiuxiu; Sabbasani, Venkata R; Walters,Kylie; Swenson, Rolf E; Walters,Kylie
  3. The Journal of Biological Chemistry. 2025, Apr 18; 108520.
  1. 2.   Revealing the mechanism of action of a first-in-class covalent inhibitor of KRASG12C (ON) and other functional properties of oncogenic KRAS by 31P NMR
  2. Sharma,Alok; Pei, Jun; Yang, Yue; Dyba,Marcin; Smith,Brian; Rabara,Dana; Larsen,Erik; Lightstone, Felice C; Esposito,Dom; Stephen,Andy; Wang, Bin; Beltran, Pedro J; Wallace, Eli; Nissley,Dwight; McCormick, Frank; Maciag,Anna
  3. The Journal of Biological Chemistry. 2024, Jan 16; 300(2): 105650.
  1. 3.   Solution structure of poly(UG) RNA
  2. Escobar, Cristian A; Petersen, Riley J; Tonelli, Marco; Fan,Lixin; Henzler-Wildman, Katherine; Butcher, Samuel E
  3. Journal of Molecular Biology. 2023, Nov 02; 435(24): 168340.
  1. 4.   1H, 15N, 13C resonance assignments for proteasome shuttle factor hHR23a
  2. Chen,Xiang; Walters,Kylie
  3. Biomolecular NMR Assignments. 2023, Oct 09;
  1. 5.   Conformational Dynamics Allows Sampling of an "Active-like" State by Oncogenic K-Ras-GDP
  2. Grudzien, Patrick; Jang,Hyunbum; Leschinsky, Nicholas; Nussinov,Ruth; Gaponenko, Vadim
  3. Journal of Molecular Biology. 2022, Jun 22; 167695.
  1. 6.   Structural insights of the conserved "priming loop" of hepatitis B virus pre-genomic RNA
  2. LeBlanc, Regan M; Kasprzak,Wojciech; Longhini, Andrew P; Olenginski, Lukasz T; Abulwerdi, Fardokht; Ginocchio, Stefano; Shields, Brigit; Nyman, Julie; Svirydava, Maryia; Del Vecchio, Claudia; Ivanic,Joseph; Schneekloth,Jay; Shapiro, Bruce A; Dayie, Theodore Kwaku; Le Grice,Stuart
  3. Journal of Biomolecular Structure & Dynamics. 2022, Jun 22; 40(20): 9761-9773.
  1. 7.   Conformational dynamics of the hepatitis B virus pre-genomic RNA on multiple time scales: implications for viral replication
  2. Olenginski, Lukasz T; Kasprzak,Wojciech; Bergonzo, Christina; Shapiro,Bruce; Dayie, Theodore K
  3. Journal of Molecular Biology. 2022, May 17; 434(18): 167633.
  1. 8.   Relative domain orientation of the L289K HIV-1 reverse transcriptase monomer
  2. Xi, Zhaoyong; Ilina, Tatiana V; Guerrero, Michel; Fan,Lixin; Sluis-Cremer, Nicolas; Wang,Yun-Xing; Ishima, Rieko
  3. Protein Science : a publication of the Protein Society. 2022, May; 31(5): e4307.
  1. 9.   77Se-13C based dipolar correlation experiments to map selenium sites in microcrystalline proteins
  2. Quinn, Caitlin M; Xu, Shiping; Hou, Guangjin; Chen, Qingqing; Sail, Deepak; Byrd,Robert; Rozovsky, Sharon
  3. Journal of Biomolecular NMR. 2022, Mar 23;
  1. 10.   Regulation of GTPase function by autophosphorylation
  2. Johnson, Christian W; Seo, Hyuk-Soo; Terrell,Elizabeth; Yang, Moon-Hee; KleinJan, Fenneke; Gebregiworgis, Teklab; Gasmi-Seabrook, Genevieve M C; Geffken, Ezekiel A; Lakhani, Jimit; Song, Kijun; Bashyal, Puspalata; Popow, Olesja; Paulo, Joao A; Liu, Andrea; Mattos, Carla; Marshall, Christopher B; Ikura, Mitsuhiko; Morrison, Deborah K; Dhe-Paganon, Sirano; Haigis, Kevin M
  3. Molecular Cell. 2022, Feb 18; 82(5): 950-968.e14.
  1. 11.   Theoretical classification of exchange geometries from the perspective of NMR relaxation dispersion
  2. Chao,Fa-An; Zhang,Yue; Byrd,Robert
  3. Journal of magnetic resonance (San Diego, Calif. : 1997). 2021, Jul; 328
  1. 12.   Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis
  2. Nguyen, Phuong H.; Ramamoorthy, Ayyalusamy; Sahoo, Bikash R.; Zheng, Jie; Faller, Peter; Straub, John E.; Dominguez, Laura; Shea, Joan-Emma; Dokholyan, Nikolay; De Simone, Alfonso; Ma, Buyong; Nussinov,Ruth; Najafi, Saeed; Ngo, Son Tung; Loquet, Antoine; Chiricotto, Mara; Ganguly, Pritam; McCarty, James; Li, Mai Suan; Hall, Carol; Wang, Yiming; Miller, Yifat; Melchionna, Simone; Habenstein, Birgit; Timr, Stepan; Chen, Jiaxing; Hnath, Brianna; Strodel, Birgit; Kayed, Rakez; Lesne, Sylvain; Wei, Guanghong; Sterpone, Fabio; Doig, Andrew J.; Derreumaux, Philippe
  3. Chemical Reviews. 2021, Feb 24; 121(4): 2545-2647.
  1. 13.   Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms
  2. Zhou, Bing-Rui; Feng, Hanqiao; Kale, Seyit; Fox,Tara; Khant,Htet; De Val Alda,Natalia; Ghirlando, Rodolfo; Panchenko, Anna R; Bai, Yawen
  3. Molecular cell. 2021, Jan 7; 81(1): 166-182.
  1. 14.   The Role of Conformational Dynamics in the Recognition and Regulation of Ubiquitination
  2. Khago, Domarin; Fucci,Ian; Byrd,Robert
  3. Molecules (Basel, Switzerland). 2020, Dec 15; 25(24):
  1. 15.   Peptide-MHC Binding Reveals Conserved Allosteric Sites in MHC Class I- and Class II-Restricted T Cell Receptors (TCRs)
  2. He, Yanan; Agnihotri, Pragati; Rangarajan, Sneha; Chen, Yihong; Kerzic, Melissa C.; Ma, Buyong; Nussinov,Ruth; Mariuzza, Roy A.; Orban, John
  3. JOURNAL OF MOLECULAR BIOLOGY. 2020, Dec 4; 432(24):
  1. 16.   Pharmacological activity and NMR solution structure of the leech peptide HSTX-I
  2. McMahon, Kirsten L; Tay, Bryan; Deuis, Jennifer R; Tanaka, Brian S; Peigneur, Steve; Jin, Ai-Hua; Tytgat, Jan; Waxman, Stephen G; Dib-Hajj, Sulayman D; Vetter, Irina; Schroeder,Christina
  3. Biochemical pharmacology. 2020, NOV; 181(SI): 114082.
  1. 17.   Discovery, Pharmacological Characterisation and NMR Structure of the Novel µ-Conotoxin SxIIIC, a Potent and Irreversible NaV Channel Inhibitor
  2. McMahon, Kirsten L; Tran, Hue N T; Deuis, Jennifer R; Lewis, Richard J; Vetter, Irina; Schroeder,Christina
  3. Biomedicines. 2020, Oct 02; 8(10): E391.
  1. 18.   A terminal alpha 3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii
  2. Mandalasi, Msano; Kim, Hyun W.; Thieker, David; Sheikh, M. Osman; Gas-Pascual, Elisabet; Rahman,Kazi; Zhao, Peng; Daniel, Nitin G.; van der Wel, Hanke; Ichikawa, H. Travis; Glushka, John N.; Wells, Lance; Woods, Robert J.; Wood, Zachary A.; West, Christopher M.
  3. JOURNAL OF BIOLOGICAL CHEMISTRY. 2020, JUL 3; 295(27): 9223-9243.
  1. 19.   Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus
  2. Brown, Janae B.; Summers, Holly R.; Brown, Lola A.; Marchant, Jan; Canova, Paige N.; O'Hern, Colin T.; Abbott, Sophia T.; Nyaunu, Constance; Maxwell, Simon; Johnson, Talayah; Moser, Morgan B.; Ablan,Sherimay; Carter, Hannah; Freed,Eric; Summers, Michael F.
  3. JOURNAL OF MOLECULAR BIOLOGY. 2020, JUN 26; 432(14): 4076-4091.
  1. 20.   An Extended Conformation for K48 Ubiquitin Chains Revealed by the hRpn2:Rpn13:K48-Diubiquitin Structure
  2. Lu,Xiuxiu; Ebelle, Danielle L; Matsuo,Hiroshi; Walters,Kylie
  3. Structure (London, England : 1993). 2020, May 5; 28(5): 495-506.e3.
  1. 21.   Structure of E3 ligase E6AP with a proteasome-binding site provided by substrate receptor hRpn10
  2. Buel,Gwen; Chen,Xiang; Chari,Raj; O'Neill, Maura J; Ebelle, Danielle L; Jenkins, Conor; Sridharan, Vinidhra; Tarasov,Sergey; Tarasova,Nadya; Andresson,Thorkell; Walters,Kylie
  3. Nature communications. 2020, Mar 10; 11(1): 1291.
  1. 22.   The Structural Basis of the Farnesylated and Methylated KRas4B Interaction with Calmodulin
  2. Jang,Hyunbum; Banerjee, Avik; Marcus, Kendra; Makowski, Lee; Mattos, Carla; Gaponenko, Vadim; Nussinov,Ruth
  3. Structure (London, England : 1993). 2019, Nov 5; 27(11): 1647-1659.e4.
  1. 23.   Clathrin light chain A drives selective myosin VI recruitment to clathrin-coated pits under membrane tension
  2. Biancospino, Matteo; Buel,Gwen; Niño, Carlos A; Maspero, Elena; di Perrotolo, Rossella Scotto; Raimondi, Andrea; Redlingshöfer, Lisa; Weber, Janine; Brodsky, Frances M; Walters,Kylie; Polo, Simona
  3. Nature communications. 2019, Oct 31; 10(1): 4974.
  1. 24.   Characterization by Empirical and Computational Methods of Dictyospiromide, an Intriguing Antioxidant Alkaloid from the Marine Alga Dictyota coriacea
  2. Yan, Pengcheng; Li, Ge; Wang, Chaojie; Wu, Jianzhang; Sun, Zhongmin; Martin, Gary E; Wang, Xiao; Reibarkh, Mikhail; Saurí, Josep; Gustafson,Kirk
  3. Organic letters. 2019, Sep 20; 21(18): 7577-7581.
  1. 25.   Spiro[3.5]nonenyl Meroterpenoid Lactones, Cryptolaevilactones G-L, an Ionone Derivative, and Total Synthesis of Cryptolaevilactone M from Cryptocarya laevigata
  2. Tsurumi, Fumika; Miura, Yuta; Nakano, Misaki; Saito, Yohei; Fukuyoshi, Shuichi; Miyake, Katsunori; Newman, David J; O'Keefe,Barry; Lee, Kuo-Hsiung; Nakagawa-Goto, Kyoko
  3. Journal of natural products. 2019, SEP; 82(9): 2368-2378.
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