2026-03-07_00000026|medium|22MJ

Crystal structure of human INPP5K with an allosteric inhibitor reveals the structural basis for species specific potency; X-ray diffraction 1.90Å
Protein #1 322 residues (89% resolved)

MSSRKLSGPKGRRLSIHVVTWNVASAAPPLDLSDLLQLNNRNLNLDIYVIGLQELNSGIISLLSDAAFNDSWSSFLMDVLSPLSFIKVSHVRMQGILLLVFAKYQHLPYIQILSTKSTPTGLFGYWGNKGGVNICLKLYGYYVSIINCHLPPHISNNYQRLEHFDRILEMQNCEGRDIPNILDHDLIIWFGDMNFRIEDFGLHFVRESIKNRCYGGLWEKDQLSIAKKHDPLLREFQEGRLLFPPTYKFDRNSNDYDTSEKKRKPAWTDRILWRLKRQPAKANPSGFLLTQKDYSSHMTYGISDHKPVSGTFDLELKPLVSA

MSSRKLSGPKGRRLSIHVVTWNVASAAPPLDLSDLLQLNNRNLNLDIYVIGLQELNSGIISLLSDAAFNDSWSSFLMDVLSPLSFIKVSHVRMQGILLLVFAKYQHLPYIQILSTKSTPTGLFGYWGNKGGVNICLKLYGYYVSIINCHLPPHISNNYQRLEHFDRILEMQNCEGRDIPNILDHDLIIWFGDMNFRIEDFGLHFVRESIKNRCYGGLWEKDQLSIAKKHDPLLREFQEGRLLFPPTYKFDRNSNDYDTSEKKRKPAWTDRILWRLKRQPAKANPSGFLLTQKDYSSHMTYGISDHKPVSGTFDLELKPLVSA
Non polymer #2 A1MDP

InChI=1S/C21H19NO3S/c1-13(2)18-16(14-9-5-3-6-10-14)17(21(24)25)20(26-18)22-19(23)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,22,23)(H,24,25)

CC(C)c1c(c(c(s1)NC(=O)c2ccccc2)C(=O)O)c3ccccc3
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 MLI

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2

C(C(=O)[O-])C(=O)[O-]
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Reference