Article
Biochemistry & Molecular Biology
Lev Khmelnitsky, Ayala Milo, Orly Dym, Deborah Fass
Summary: CysD domains are important for intermolecular adhesion in the formation and secretion of mucin polymers. The crystal structure of the seventh CysD domain from MUC5AC provided experimental data on a representative CysD in a larger branch of the fold family. The structure revealed differences in calcium-binding sites and an additional α-helix with potential functional implications.
Article
Biochemistry & Molecular Biology
Kyle S. Gregory, Gyles E. Cozier, Sylva L. U. Schwager, Edward D. Sturrock, K. Ravi Acharya
Summary: This study reports the structural basis of domain-specific inhibition of angiotensin-1-converting enzyme (ACE) by lactotripeptides Val-Pro-Pro and Ile-Pro-Pro. The milk-derived lactotripeptides LPP and VPP have shown promising results in reducing hypertension by inhibiting the N- and C-domain of ACE. The resolution of two X-ray crystal structures and kinetic analysis provide important insights into the molecular interactions underlying this inhibition.
Article
Biochemistry & Molecular Biology
Mariana Abrahao Bueno Morais, Joice Helena Paiva, Mario Tyago Murakami
Summary: Carbohydrate-binding modules (CBMs) are independently folded domains associated with carbohydrate-active enzymes (CAZymes). The high-resolution SAD-solved structure of a CBM from family 3 (BsCBM3) that binds to crystalline cellulose is reported, showing molecular plasticity and structural differences between crystalline forms. Variations in the cellulose binding interface were observed, supporting the idea that family 3 CBMs are structurally dynamic and suggesting a role in polysaccharide recognition and enzyme activity modulation.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
(2023)
Article
Nanoscience & Nanotechnology
Yueying Zhang, Jiaming Li, Ke Yang, Fangyuan Zheng, Yuqing Zhou, Yuguo Zhang, Yupeng Hui, Yue-Qi Wang, Jiang Zhu, Jincheng Zhang, Yue Hao, Ming Yang, Tao Li, Jiong Zhao, Haijiao Harsan Ma
Summary: We report the electric field-induced out-of-plane ferroelectric polarization in large-scale, freestanding, and strain-free 2D STO membranes at room temperature. High-resolution piezoresponse force microscopy measurements show that polarization in freestanding strain-free STO membranes can be switched by electric field and persist for an hour. Our work unlocks the great potential of freestanding 2D STO for the applications in novel electronic and logic-in-memory devices.
Article
Biochemistry & Molecular Biology
Shotaro Kamata, Akihiro Honda, Ryo Ishikawa, Makoto Akahane, Ayane Fujita, Chihiro Kaneko, Saeka Miyawaki, Yuki Habu, Yui Shiiyama, Kie Uchii, Yui Machida, Takuji Oyama, Isao Ishii
Summary: Currently, there are no available therapeutic drugs for NASH that progresses from nonalcoholic fatty liver via oxidative stress-involved pathways. Three PPAR subtypes (PPARa/d/?) are considered attractive targets, but the development of many investigational drugs has been discontinued due to side effects or lack of efficacy. This study aimed to gain insights into the potency, efficacy, and selectivity against PPARa/d/? of three current and past anti-NASH investigational drugs: lanifibranor, seladelpar, and elafibranor.
Article
Cell Biology
Mariia Radaeva, Huifang Li, Eric LeBlanc, Kush Dalal, Fuqiang Ban, Fabrice Ciesielski, Bonny Chow, Helene Morin, Shannon Awrey, Kriti Singh, Paul S. Rennie, Nada Lallous, Artem Cherkasov
Summary: The mutation-driven transformation of anti-androgen drugs into receptor agonists poses a challenge for prostate cancer treatment. We developed inhibitors targeting the receptor's DNA-binding domain and identified a few that exhibited partial agonistic effects towards mutated forms of the receptor. By studying the molecular basis, we designed derivatives to eliminate cross-reactivity with the receptor's androgen binding site while maintaining anti-DNA-binding domain potency.
Article
Chemistry, Multidisciplinary
Corinna Czernetzki, Merle Arrowsmith, Felipe Fantuzzi, Annalena Gartner, Tobias Troster, Ivo Krummenacher, Fabian Schorr, Holger Braunschweig
Summary: The reduction of a cyclic alkyl(amino)carbene-stabilized organoberyllium chloride led to the first neutral beryllium radical, which was characterized by a variety of spectroscopic techniques and computational methods. This compound provides a new theoretical basis for studying the reactivity of related compounds.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Abigail R. Orun, Ethan T. Shields, Sara Dmytriw, Ananya Vajapayajula, Caroline K. Slaughter, Christopher D. Snow
Summary: Researchers have designed isoreticular cocrystals as scaffolds for DNA-binding molecules. These cocrystals have tunable DNA-DNA junctions and can accommodate different guest molecules during crystallization. The design principles can be applied to existing cocrystals to develop programmable scaffolds for DNA-binding molecules.
Review
Pharmacology & Pharmacy
Jiaxing Wang, Duane D. Miller, Wei Li
Summary: This review summarizes the crystal structures of tubulin in complexes with various CBSIs, aiming to facilitate the discovery of new generations of tubulin inhibitors.
DRUG DISCOVERY TODAY
(2022)
Article
Biochemistry & Molecular Biology
Giovanni Covaleda-Cortes, Ariel Mechaly, Terry Brissac, Heike Baehre, Laura Devaux, Patrick England, Bertrand Raynal, Sylviane Hoos, Myriam Gominet, Arnaud Firon, Patrick Trieu-Cuot, Pierre Alexandre Kaminski
Summary: Cyclic di-AMP is a crucial signaling molecule in Gram-positive bacteria, regulating cell osmotic pressure by directly interacting with regulatory domains of potassium and osmolyte uptake membrane protein systems. It also interacts with stand-alone CBS domain proteins such as DarB and CbpB. The CbpB protein in Group B Streptococcus has a high affinity for c-di-AMP, and crystal structures of CbpB reveal the determinants of binding specificity and conformational changes. Deletion of the cbpB gene affects bacterial growth in low potassium conditions, possibly due to a decrease in ppGpp caused by the loss of CbpB-Rel interaction.
Article
Chemistry, Multidisciplinary
Essi Taipale, Marcel Siepmann, Khai-Nghi Truong, Kari Rissanen
Summary: The synthesis and characterization of iodine(I) complexes with benzoimidazole or carbazole-derived sp(2) N-containing Lewis bases, as well as their corresponding silver(I) complexes, were investigated. The results showed the presence of a three-center four-electron (3c-4e) [N-I-N](+) bond in the iodine(I) complexes, with some Ag+ complexes exhibiting deviations from linearity.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Inorganic & Nuclear
Pokpong Rungthanaphatsophon, Alexander J. Gremillion, Yuzhong Wang, Steven P. Kelley, Gregory H. Robinson, Justin R. Walensky
Summary: N-Heterocyclic Carbene (NHC) ligands play a crucial role in synthesizing novel metal and main group-containing compounds. This study focuses on the coordination chemistry of CS2 and PhNCS derivatives of the sterically encumbering 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene (IPr).
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Physical
Deepak Kumar, Arti Chouhan, Erwann Jeanneau, Shashank Mishra, Ashutosh Pandey
Summary: Coordination compounds of calcium and strontium with the 5-(2-pyridyl)tetrazolate ligand were synthesized and characterized. The compounds exhibited similar composition and molecular geometries, with the ligands acting as bidentate ligands and water molecules stabilizing the structures through hydrogen bonding. The thermal stability of the compounds was also compared.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Multidisciplinary Sciences
Wei Zhang, Ke Shi, Qibin Geng, Gang Ye, Hideki Aihara, Fang Li
Summary: The omicron variant's RBD showed adaptation to mouse ACE2 before infecting humans, as confirmed by crystal structure analysis. (Animal experimentation)
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Biochemistry & Molecular Biology
Seri Jo, Hwa Young Kim, Dong Hae Shin, Mi-Sun Kim
Summary: 3CLpro of SARS-CoV-2 is a potential target for anti-COVID-19 agents development. The catalytic activity of 3CLpros was evaluated in two forms, with or without the dimerization domain. The crystal structure analysis revealed that the catalytic domain alone has lower enzymatic activity compared to the full domain, attributed to incomplete construction of the substrate binding part. Furthermore, SARS-CoV families showed conformational differences in the interaction between DM-loop and helix alpha 7. This new insight provides useful information for understanding the behavior of SARS-CoV-2 3CLpro and developing anti-COVID-19 agents.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Barney Yoo, Kai Ma, Li Zhang, Andrew Burns, Sonia Sequeira, Ingo Mellinghoff, Cameron Brennan, Ulrich Wiesner, Michelle S. Bradbury
BIOORGANIC & MEDICINAL CHEMISTRY
(2015)
Review
Biophysics
Lucy Malinina, Dhirendra K. Simanshu, Xiuhong Zhai, Valeria R. Samygina, RaviKanth Kamlekar, Roopa Kenoth, Borja Ochoa-Lizarralde, Margarita L. Malakhova, Julian G. Molotkovsky, Dinshaw J. Patel, Rhoderick E. Brown
QUARTERLY REVIEWS OF BIOPHYSICS
(2015)
Editorial Material
Biochemistry & Molecular Biology
Lucy Malinina, Rhoderick E. Brown
Article
Biochemistry & Molecular Biology
Xiuhong Zhai, Yong-Guang Gao, Shrawan K. Mishra, Dhirendra K. Simanshu, Ivan A. Boldyrev, Linda M. Benson, H. Robert Bergen, Lucy Malinina, John Mundy, Julian G. Molotkovsky, Dinshaw J. Patel, Rhoderick E. Brown
JOURNAL OF BIOLOGICAL CHEMISTRY
(2017)
Article
Biochemistry & Molecular Biology
Roopa Kenoth, Xianqiong Zou, Dhirendra K. Simanshu, Helen M. Pike, Lucy Malinina, Dinshaw J. Patel, Rhoderick E. Brown, Ravi Kanth Kamlekar
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2018)
Article
Biochemical Research Methods
Valeria R. Samygina, Borja Ochoa-Lizarralde, Alexander N. Popov, Aintzane Cabo-Bilbao, Felipe Goni-de-Cerio, Julian G. Molotkovsky, Dinshaw J. Patel, Rhoderick E. Brown, Lucy Malinina
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
(2013)
Editorial Material
Integrative & Complementary Medicine
Sonia Sequeira
ADVANCES IN MEDITATION RESEARCH: NEUROSCIENCE AND CLINICAL APPLICATIONS
(2014)
Article
Biochemistry & Molecular Biology
Ravi Kanth Kamlekar, Dhirendra K. Simanshu, Yong-guang Gao, Roopa Kenoth, Helen M. Pike, Franklyn G. Prendergast, Lucy Malinina, Julian G. Molotkovsky, Sergei Yu Venyaminov, Dinshaw J. Patel, Rhoderick E. Brown
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS
(2013)
Article
Biochemistry & Molecular Biology
Francisco J. Acosta-Reyes, Juan A. Subirana, Joan Pous, Raquel Sanchez-Giraldo, Nuria Condom, Roberto Baldini, Lucy Malinina, J. Lourdes Campos
Article
Biochemistry & Molecular Biology
Borja Ochoa-Lizarralde, Yong-Guang Gao, Alexander N. Popov, Valeria R. Samygina, Xiuhong Zhai, Shrawan K. Mishra, Ivan A. Boldyrev, Julian G. Molotkovsky, Dhirendra K. Simanshu, Dinshaw J. Patel, Rhoderick E. Brown, Lucy Malinina
JOURNAL OF BIOLOGICAL CHEMISTRY
(2018)
Article
Biochemistry & Molecular Biology
Jevgenia Tamjar, Elizaveta Katorcha, Alexander Popov, Lucy Malinina
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2012)
Article
Oncology
Mahiuddin Ahmed, Shakeel Modak, Sonia Sequeira
JOURNAL OF PEDIATRIC HEMATOLOGY ONCOLOGY
(2014)
Article
Multidisciplinary Sciences
Dhirendra K. Simanshu, Ravi Kanth Kamlekar, Dayanjan S. Wijesinghe, Xianqiong Zou, Xiuhong Zhai, Shrawan K. Mishra, Julian G. Molotkovsky, Lucy Malinina, Edward H. Hinchcliffe, Charles E. Chalfant, Rhoderick E. Brown, Dinshaw J. Patel
Article
Biochemistry & Molecular Biology
Marianna Teplova, Lucy Malinina, Jennifer C. Darnell, Jikui Song, Min Lu, Ruben Abagyan, Kiran Musunuru, Alexei Teplov, Stephen K. Burley, Robert B. Darnell, Dinshaw J. Patel
Article
Cell Biology
Dhirendra K. Simanshu, Xiuhong Zhai, David Munch, Daniel Hofius, Jonathan E. Markham, Jacek Bielawski, Alicja Bielawska, Lucy Malinina, Julian G. Molotkovsky, John W. Mundy, Dinshaw J. Patel, Rhoderick E. Brown