Results 41 to 50 of about 20,977 (223)

The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study

Frontiers in Chemistry, 2017
Erroneous activation of the Hedgehog pathway has been linked to a great amount of cancerous diseases and therefore a large number of studies aiming at its inhibition have been carried out. One leverage point for novel therapeutic strategies targeting the
Manuel Hitzenberger, Manuel Hitzenberger, Daniela Schuster, Thomas S. Hofer   +3 more
doaj   +1 more source

Great metalloclusters in enzymology [PDF]

, 2002
Metallocluster-containing enzymes catalyze some of the most basic redox transformations in the biosphere. The reactions catalyzed by these enzymes typically involve small molecules such as N2, CO, and H2 that are used to generate both chemical building ...
Rees, Douglas C.
core   +1 more source

NMR of Paramagnetic Proteins: ¹³C Derived Paramagnetic Relaxation Enhancements Are an Additional Source of Structural Information in Solution

Magnetochemistry, 2023
In paramagnetic metalloproteins, longitudinal relaxation rates of 13C′ and 13Cα nuclei can be measured using 13C detected experiments and converted into electron spin-nuclear spin distance restraints, also known as Paramagnetic Relaxation Enhancement ...
Leonardo Querci, Inês B. Trindade, Michele Invernici, José Malanho Silva, Francesca Cantini, Ricardo O. Louro, Mario Piccioli   +6 more
doaj   +1 more source

A minimalist chemical model of matrix metalloproteinases- Can small peptides mimic the more rigid metal binding sites of proteins? [PDF]

, 2013
In order to develop a minimalist chemical model of matrix metalloproteinases (MMPs), we synthesized a pentadecapeptide (Ac-KAHEFGHSLGLDHSK-NH2) corresponding to the catalytic zinc(II) binding site of human MMP-13.
Aguilar, Attila Jancsó, Beck, Burns, Camerman, Daignault, Dávid Árus, Farkas, Farkas, Gajda, Grossoehme, Harford, Heitzer, Högfeldt, Jancsó, Jancsó, Kaiser, Khairy, Kimura, Koike, Kolozsi, Kállay, Massova, Millhauser, Mylonas, Mylonas, Nóra Veronika Nagy, Paksi, Rabenstein, Rajkovic, Rockenbauer, Rosotti, Róbert Berkecz, Stanczak, Sternlicht, Sóvágó, Tallant, Tamás Gajda, Valensin, Valensin, Valensin, Verma, Witkowska, Zastrow, Zoroddu, Zékány, Ágnes Dancs, Árus, Ősz   +48 more
core   +1 more source

Automatically Constructed Neural Network Potentials for Molecular Dynamics Simulation of Zinc Proteins

Frontiers in Chemistry, 2021
The development of accurate and efficient potential energy functions for the molecular dynamics simulation of metalloproteins has long been a great challenge for the theoretical chemistry community.
Mingyuan Xu, Tong Zhu, Tong Zhu, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang   +6 more
doaj   +1 more source

Mercury and selenium binding biomolecules in terrestrial mammals (Cervus elaphus and Sus scrofa) from a mercury exposed area [PDF]

, 2017
Acknowledgements The authors are grateful to Junta de Comunidades de Castilla-La Mancha (PCC-05-004-2, PAI06-0094, PCI-08-0096, PEII09-0032-5329) and the Ministerio de Economía y Competitividad (CTQ2013-48411-P) for financial support. M.J.
Fariñas, N. Rodríguez, Krupp, E., Martín-Doimeadiosa, R. C. Rodríguez, Matteo, R., Nevado, J. J. Berzas, Ropero, M. J. Patiño   +5 more
core   +1 more source

Chemically Engineered L. reuteri Delivering αPD‐L1 and Gallium Ions via Metal‐Phenolic Networks Potentiate Anti‐Tumor Immunity and Ferroptosis

Advanced Science, EarlyView.
A multifaceted chemical strategy, integrating bacterial tropism, metal‐ion interference therapy, and immunotherapy, resulted in significant tumor regression in murine models. A pioneering paradigm for the design of biohybrid materials was established, highlighting how sophisticated chemical engineering of living systems can unlock new avenues for ...
Tingting Zhang, Mengyi Xu, Yan Zhang, Zhiwen Li, Danqing Song, Jing Pang, Ke Li, Yanxiang Wang   +7 more
wiley   +1 more source

Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins

IUCrJ, 2019
An approach is demonstrated to obtain, in a sample- and time-efficient manner, multiple dose-resolved crystal structures from room-temperature protein microcrystals using identical fixed-target supports at both synchrotrons and X-ray free-electron lasers
Ali Ebrahim, Tadeo Moreno-Chicano, Martin V. Appleby, Amanda K. Chaplin, John H. Beale, Darren A. Sherrell, Helen M. E. Duyvesteyn, Shigeki Owada, Kensuke Tono, Hiroshi Sugimoto, Richard W. Strange, Jonathan A. R. Worrall, Danny Axford, Robin L. Owen, Michael A. Hough   +14 more
doaj   +1 more source

Kinetics of the reduction of metalloproteins by chromous ion [PDF]

, 1972
The reduction of Cu(330) in Rhus vernicifera laccase by chromous ion is 30% faster than reduction of Cu(614) at room temperature [pH 4.8, µ = 0.1 (NaCl)], and two parallel first-order paths, attributed to heterogeneity of the protein, are observed at ...
Dawson, J. W., Gray, H. B., Holwerda, R. A., Westhead, E. W.   +3 more
core  

Immunoinformatics‐Based Design of a Multi‐Epitope Vaccine Targeting a Conserved Copper–Associated Protein in Neisseria gonorrhoeae

Biotechnology and Applied Biochemistry, EarlyView.
ABSTRACT Neisseria gonorrhoeae poses an urgent public health challenge due to rapidly increasing antimicrobial resistance and the absence of an effective vaccine. Targeting conserved bacterial pathways involved in essential physiological processes may provide new opportunities for vaccine antigen discovery.
Sinethemba H. Yakobi, Uchechukwu U. Nwodo   +1 more
wiley   +1 more source