Results 191 to 200 of about 326,099 (315)

Decoding the Mechanism of Action of a Parasite TGFβ Antagonist Inspires the Creation of Cell‐Type‐Specific TGFβ Modulators

Advanced Science, EarlyView.
The mammalian TGFβ interacts with ubiquitously expressed TGFBR1 and TGFBR2, and current TGFβ‐targeting agents are non‐cell‐selective. The cooperative interaction of the modular parasite TGFβ antagonist with multiple host (co‐)receptors empowers the design of TGM chimeras and bispecific antibodies that activate or inhibit TGFβ signaling in a cell ...
Maarten van Dinther, Tristin Schwartze, Jiying Zhang, Kun Fan, Gerard van der Zon, Luke Power, Cynthia S. Hinck, Claire Ciancia, Ananya Mukundan, Roman Gonzalez‐Prieto, Peter van Veelen, Rick M. Maizels, Andrew P. Hinck, Peter ten Dijke   +13 more
wiley   +1 more source

Structural basis of ligand selectivity in FAD/NAD(P)H-dependent dehydrogenases: insights from trypanothione reductase and type II NADH dehydrogenase. [PDF]

Protein Sci
Perrone GCM, Spadone S, Francavilla AL, Morselli S, Todisco S, Ortalli M, Mendoza-Roldan JA, Scaglione V, Sgobba MN, Guerra L, Belluti F, Varani S, Otranto D, De Grassi A, Volpicella M, Pierri CL.   +15 more
europepmc   +1 more source

Discovery of a Potent Fluorescence Polarization Probe for Identifying USP1 Allosteric Inhibitors

Advanced Science, EarlyView.
This study presents the first ubiquitin‐specific protease 1 (USP1) allosteric fluoroprobe and fluorescence polarization assay, enabling the differentiation of allosteric and catalytic site inhibitors. Further, a novel class of tetrahydroisoquinoline‐based USP1 inhibitors is designed, with compound 14a (USP1 IC50 = 29.9 nM) showing strong selectivity ...
Jiawei Cheng, Peipei Wang, Pengfei Wang, Jiamin Wang, Baiyang Li, Daqing Fang, Jian He, Xiaobei Hu, Weijuan Kan, Yubo Zhou, Chunpu Li, Jia Li, Hong Liu   +12 more
wiley   +1 more source

Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail. [PDF]

J Chem Inf Model
Gutermuth T, Ehmki ESR, Flachsenberg F, Penner P, Hönig SMN, Harren T, Rarey M.   +6 more
europepmc   +1 more source

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

Synthesis, characterization, and antitumor potency of Pd²⁺, ZrO²⁺, and VO²⁺ complexes with tridentate Schiff base: in vitro biological and in-silico insights. [PDF]

BMC Chem
Abdel-Fatah SM, Basha MT, Al-Sulami AI, Shehata MR, Abdel-Rahman LH.   +4 more
europepmc   +1 more source

Crystal structure of human PCNA in complex with three p15 peptides

, 2021
Onesti, S., Merino, N., De Biasio, A., Gonzalez-Magana, A., De March, Matteo, Blanco-Silva, Francisco J., Romano-Moreno, M.   +6 more
core   +1 more source

Scalable Engineering of Bio‐Manufactured Extracellular Vesicles for Selective Delivery in Ovarian Cancer Patient‐Derived Models

Advanced Science, EarlyView.
Engineered extracellular vesicles displaying Ephrin‐B2 selectively target Ephrin‐B4–expressing ovarian cancer cells, enabling precise delivery in patient‐derived models. This scalable bio‐manufacturing platform reveals a versatile strategy to exploit Ephrin signaling for highly specific therapeutic payload delivery and motivates exploration of tailored
Nihar Godbole, Andrew Lai, Alexander Quinn, Marianne Gillard, Dominic Guanzon, Katherin Scholz‐Romero, Alexis Salas‐Burgos, Bastián Lillo Dapremont, Rohan Lourie, Naven Chetty, Richard Lobb, Kate Beecher, Amy E. McCart Reed, Kaltin Ferguson, Biao Sun, Yaowu He, John D. Hooper, Carlos Salomon   +17 more
wiley   +1 more source

Crystal structure of CNG mimicking NaK-ETPP mutant in complex with Rb+

, 2021
Onesti, S., Napolitano, L. M. R., De March, Matteo   +2 more
core   +1 more source

Aptamer‐Directed Porous DNA Nanocomposite Hydrogel for Active Pulp Preservation: Immunomodulation, Stem Cell Recruitment and Reparative Dentinogenesis

Advanced Science, EarlyView.
This study presents an injectable DNA‐based porous hydrogel integrating catechol motifs and targeting aptamers for pulpitis management. Upon in situ crosslinking, the scaffold actively recruits endogenous dental pulp stem cells, restores redox homeostasis, and modulates immune responses.
Luhui Cai, Huan Yu, Zihan Ni, Kan Chen, I‐Chen Tsai, Zeyu Bao, Shuo Sun, Weichang Li, Yunhua Chen, Qiong Xu   +9 more
wiley   +1 more source