2024-07-27_00000230|ligand|9FQH

E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1); X-ray diffraction 1.79Å
Protein #1 394 residues (97% resolved)

HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD

HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD
Non polymer #2 A1IEW

InChI=1S/C28H32F3N7O/c1-18-6-5-9-36(14-18)15-20-10-23(28(29,30)31)24-34-38(26(39)37(24)16-20)22-8-4-7-21(11-22)27(12-19(2)13-27)25-33-32-17-35(25)3/h4,7-8,10-11,16-19H,5-6,9,12-15H2,1-3H3/t18-,19-,27+/m0/s1

C[C@H]1CCCN(C1)CC2=CN3C(=NN(C3=O)c4cccc(c4)C5(CC(C5)C)c6nncn6C)C(=C2)C(F)(F)F
Non polymer #3 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference