2025-05-17_00000262|medium|9LYF

Structure-based Discovery of Novel non-Covalent Small Molecule Inhibitors of USP30; X-ray diffraction 2.58Å
Protein #1 336 residues (90% resolved)

GPKGLVPGLVNLGNTCFMNSLLQGLSACPAFIRWLEEFTSQYSRDQKEPPSHQYLSLTLLHLLKALSCQEVTDDEVLDASCLLDVLRMYRWQISSFEEQDAHELFHVITSSLEDERDGSGSHWKSQHPFHGRLTSNMVCKHCEHQSPVRFDTFDSLSLSIPAATWGHPLTLDHCLHHFISSESVRDVVCDNCTKIEAKGTLNGEKVEHQRTTFVKQLKLGKLPQCLCIHLQRLSWSSHGTPLKRHEHVQFNEDLSMDEYKYHSNASTYLFRLMAVVVHHGDMHSGHFVTYRRSPPSARNPLSTSNQWLWVSDDTVRKASLQEVLSSSAYLLFYERV

GPKGLVPGLVNLGNTCFMNSLLQGLSACPAFIRWLEEFTSQYSRDQKEPPSHQYLSLTLLHLLKALSCQEVTDDEVLDASCLLDVLRMYRWQISSFEEQDAHELFHVITSSLEDERDGSGSHWKSQHPFHGRLTSNMVCKHCEHQSPVRFDTFDSLSLSIPAATWGHPLTLDHCLHHFISSESVRDVVCDNCTKIEAKGTLNGEKVEHQRTTFVKQLKLGKLPQCLCIHLQRLSWSSHGTPLKRHEHVQFNEDLSMDEYKYHSNASTYLFRLMAVVVHHGDMHSGHFVTYRRSPPSARNPLSTSNQWLWVSDDTVRKASLQEVLSSSAYLLFYERV
Non polymer #2 A1L7W

InChI=1S/C16H16N6O2/c17-7-11-2-1-3-13(6-11)15-20-21-16(24-15)14(23)19-8-12-4-5-22(9-12)10-18/h1-3,6,10,12,18H,4-5,8-9H2,(H,19,23)/b18-10-/t12-/m0/s1

[H]/N=CN1CC[C@H](C1)CNC(=O)c2nnc(o2)c3cccc(c3)C#N
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference