Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1

Krzysztof M. Żak, Radosław Kitel, Sara Przetocka, +6

Structure

Protein FunctionApoptosisMolecular BiologyCell DeathMolecular Basis +4

Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein–Protein Interaction

Damian Muszak, Ewa Surmiak, Jacek Plewka, +10

Journal of Medicinal Chemistry

Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists

Roberto Butera, Marta A. Ważyńska, Katarzyna Magiera‐Mularz, +10

ACS Medicinal Chemistry Letters

MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery

Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, +10

Nature Computational Science

EngineeringMachine LearningHit IdentificationMolecular BiologyComputational Chemistry +21

Unique Substrate Specificity of SplE Serine Protease from Staphylococcus aureus

Natalia Stach, Magdalena Kalińska, Michal Zdzalik, +13

Structure

Protease InhibitorsBiochemistryProtein FoldingMedicineSple Serine Protease +6

PD-L1 Inhibitors: Different Classes, Activities, and Mechanisms of Action

Ewa Surmiak, Katarzyna Magiera‐Mularz, Bogdan Musielak, +6

International Journal of Molecular Sciences

Pd-l1 InhibitorsImmunologyCell Death 1PharmacotherapyImmune Checkpoint Blockade +16

Simple 2(5H)-furanone derivatives with selective cytotoxicity towards non-small cell lung cancer cell line A549 – Synthesis, structure-activity relationship and biological evaluation

Anna Byczek-Wyrostek, Radosław Kitel, Klaudia Rumak, +3

European Journal of Medicinal Chemistry

-Furanone DerivativesStructure-activity RelationshipAnti-cancer AgentHeterocycle ChemistryPharmacology +2

Effect of Selected Silyl Groups on the Anticancer Activity of 3,4-Dibromo-5-Hydroxy-Furan-2(5H)-One Derivatives

Radosław Kitel, Anna Byczek-Wyrostek, Katarzyna Hopko, +2

Pharmaceuticals

Exploring the Surface of the Ectodomain of the PD-L1 Immune Checkpoint with Small-Molecule Fragments

Radosław Kitel, Ismael Rodríguez, Xabier del Corte, +8

ACS Chemical Biology

Structural Determinants of Substrate Specificity of SplF Protease from Staphylococcus aureus

Natalia Stach, A. Karim, Przemysław Golik, +10

International Journal of Molecular Sciences