2026-07-25_00000083
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ligand
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9I0C
E3 ubiquitin ligase CBL-B in complex with inhibitor;
X-ray diffraction 2.12Å
Protein #1
394 residues (97% resolved)
Raw Sequence ...
HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD
Canonical Sequence ...
HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD
Non polymer #2
A1IZE
InChI=1S/C20H19F3N4O/c1-13-9-19(10-13,18-25-24-12-26(18)2)14-4-3-5-16(8-14)27-11-15(20(21,22)23)6-7-17(27)28/h3-8,11-13H,9-10H2,1-2H3/t13-,19+
InChI=1S/C20H19F3N4O/c1-13-9-19(10-13,18-25-24-12-26(18)2)14-4-3-5-16(8-14)27-11-15(20(21,22)23)6-7-17(27)28/h3-8,11-13H,9-10H2,1-2H3/t13-,19+
SMILES: CC1CC(C1)(c2cccc(c2)N3C=C(C=CC3=O)C(F)(F)F)c4nncn4C
CC1CC(C1)(c2cccc(c2)N3C=C(C=CC3=O)C(F)(F)F)c4nncn4C
Non polymer #3
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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