CrystalsFirst GmbH

CrystalsFirst offers a reliable and disciplined approach to small-molecule and molecular glue discovery.

Instead of a “needle-in-a-haystack” search, our MAGNET Discovery Engine unites multiple patented technologies for DEL screening, high-throughput structural biology with AI-powered design to deliver structurally confirmed starting points and guided optimization, reducing risk at every step.

MAGNET integrates three proprietary components:

• SmartSoak for 10× faster crystal soaking and rapid structure solutions where conventional methods stall,

• SmartSpin, ultra fast NMR fragment screening and reporter assays,

• SmartDEL, a dual-stranded DNA-encoded library that opens new chemical space ideally suited for molecular glues, and

• FragAI for generative design trained on proprietary structural data in a closed design–make–test–learn loop.

This combination enables systematic discovery, validation, and optimization with speed, an data integrity.

With a track record of enabling more than 100 drug targets for partners, we support programs from target-to-hit through hit-to-lead and lead optimization. Our team has practical experience across diverse E3 ligases—including HECT, RING, CBL, PRY-SPRY, KLHL, VCB, and CRBN—and is actively working with newly identified and tissue-specific ligases relevant to proximity-induced drug modalities.

We are prepared to begin with focused proof-of-concept projects that demonstrate value quickly, followed by scaled collaboration once objectives are achieved. Our goal is to support the drug discovery pipeline with structural certainty and AI-enabled productivity, while practicing continuous improvement and open communication to build trust over time.

We welcome discussions in oncology, (auto)immunology, neurodegeneration, and other priority areas where rapid structural enablement and molecular glue discovery can create durable competitive advantage.