2026-08-22_00000440
|
ligand
|
9WDH
Crystal Structure of CBL-B in Complex with a Potent Inhibitor Demonstrating In Vivo Efficacy;
X-ray diffraction 2.80Å
Protein #1
394 residues (97% resolved)
Raw Sequence ...
GPPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD
Canonical Sequence ...
GPPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD
Non polymer #2
A1EVY
InChI=1S/C30H34FN5O/c1-19-6-5-11-36(16-19)17-22-9-10-26(31)25-13-24(28(37)33-27(22)25)21-7-4-8-23(12-21)30(14-20(2)15-30)29-34-32-18-35(29)3/h4,7-10,12-13,18-20H,5-6,11,14-17H2,1-3H3,(H,33,37)/t19-,20-,30+/m0/s1
InChI=1S/C30H34FN5O/c1-19-6-5-11-36(16-19)17-22-9-10-26(31)25-13-24(28(37)33-27(22)25)21-7-4-8-23(12-21)30(14-20(2)15-30)29-34-32-18-35(29)3/h4,7-10,12-13,18-20H,5-6,11,14-17H2,1-3H3,(H,33,37)/t19-,20-,30+/m0/s1
SMILES: C[C@H]1CCCN(C1)Cc2ccc(c3c2NC(=O)C(=C3)c4cccc(c4)C5(CC(C5)C)c6nncn6C)F
C[C@H]1CCCN(C1)Cc2ccc(c3c2NC(=O)C(=C3)c4cccc(c4)C5(CC(C5)C)c6nncn6C)F
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%