Current Protein Identity:Q13191 New Search
Main Difference Dimensions in This Set
Different construct Different mutation/modification Different assembly state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics

Difference tags compare only the current result set; every original PDB and assembly record remains separate.

Related-Structure Differences

Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.

PDB Entry Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Experimental Method Experimental Conditions Structure Quality
2AK5 beta PIX-SH3 complexed with a Cbl-b peptide Deposited 2005-08-03 Assembly 1 Protein heterocomplex Heteromer;Protein × 6 PDB declaration: hexameric(6) Consistent with protein count
Chain D 904–911(8 aa) Fragment:residues 904-911
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5;291 K;PEG 3000, SODIUM CITRATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K, pH 6.50
Resolution 1.85 Å R-free 0.269
2BZ8 N-terminal Sh3 domain of CIN85 bound to Cbl-b peptide Deposited 2005-08-12 Assembly 1 Protein heterocomplex Heteromer;Protein × 3 PDB declaration: trimeric(3) Consistent with protein count
Chain C 902–912(11 aa) Fragment:POLYPROLINE RICH REGION RESIDUES 902-912
Not recorded NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5;0.8 M NA CITRATE, 0.1 M BIS-TRIS PH 7.5, 0.2 M NACL
Resolution 2.00 Å R-free 0.271
2DO6 Solution structure of RSGI RUH-065, a UBA domain from human cDNA Deposited 2006-04-27 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 931–970(40 aa) Fragment:UBA domain
Chain B 931–970(40 aa) Fragment:UBA domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7;298 K;Ionic strength (raw mmCIF value) 100mM NaCl;Pressure AMBIENT
NMR sample composition 1.1mM UBA domain U-15N,13C, 20mM d-Tris-HCl buffer (pH 7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition 1.0mM UBA domain U-15N,13C, 1.0mM UBA domain, 20mM d-Tris-HCl buffer (pH 7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 100% D2O | 100% D2O
Resolution not provided
2J6F N-TERMINAL SH3 DOMAIN OF CMS (CD2AP HUMAN HOMOLOG) BOUND TO CBL-B PEPTIDE Deposited 2006-09-28 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain C 902–912(11 aa) Fragment:PEPTIDE, RESIDUES 902-912
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5;20% PEG3000, 0.1M ACETATE PH 5.5
Resolution 1.70 Å R-free 0.218
2JNH Solution Structure of the UBA Domain from Cbl-b Deposited 2007-01-24 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 926–971(46 aa) Fragment:UBA domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5;298 K;Pressure ambient
NMR sample composition 1 mM [U-13C; U-15N] entity, 20 mM sodium phosphate, 50 mM sodium chloride, 1 mM DTT, 0.01 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2LDR Solution structure of Helix-RING domain of Cbl-b in the Tyr363 phosphorylated form Deposited 2011-06-01 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 351–426(76 aa) Fragment:Helix-RING domain, residues 345-426
Non-standard monomer:Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 SOLUTION NMR
NMR measurement conditions pH 6.3;298 K;Ionic strength (raw mmCIF value) 150;Pressure ambient
NMR sample composition 20mM MES-1, 2mM DTT-2, 150mM sodium chloride-3, 0.4mM [U-99% 13C; U-99% 15N] protein-4, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2OOA crystal structure of the UBA domain from Cbl-b ubiquitin ligase Deposited 2007-01-25 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 924–973(50 aa) Fragment:UBA domain
Non-standard monomer:Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.2;293 K;1.2M sodium/potassium phosphate, 12% glycerol, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.56 Å R-free 0.240
2OOA crystal structure of the UBA domain from Cbl-b ubiquitin ligase Deposited 2007-01-25 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 924–973(50 aa) Fragment:UBA domain
Non-standard monomer:Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.2;293 K;1.2M sodium/potassium phosphate, 12% glycerol, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.56 Å R-free 0.240
2OOB crystal structure of the UBA domain from Cbl-b ubiquitin ligase in complex with ubiquitin Deposited 2007-01-25 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 924–973(50 aa) Fragment:UBA domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 5;293 K;0.2M calcium chloride, 0.1M sodium acetate, 20% PEG6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.256
3PFV Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide Deposited 2010-10-29 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 38–344(307 aa) Fragment:N-terminal TKB domain (UNP residues 38-344)
Not recorded NA SODIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6.5;293.15 K;30% PEG 3350, 0.3M Ammonium sulfate, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 2.27 Å R-free 0.262
3PFV Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide Deposited 2010-10-29 Assembly 2 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain B 38–344(307 aa) Fragment:N-terminal TKB domain (UNP residues 38-344)
Not recorded NA SODIUM ION × 1 SO4 SULFATE ION × 3 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6.5;293.15 K;30% PEG 3350, 0.3M Ammonium sulfate, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 2.27 Å R-free 0.262
3VGO Crystal structure of the N-terminal fragment of Cbl-b Deposited 2011-08-18 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 39–426(388 aa) Fragment:N-terminal fragment, UNP residues 39-426
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8.4;293 K;25% PEG 3350, 0.1M bicine, 0.8M KNO3, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.10 Å R-free 0.328
3VGO Crystal structure of the N-terminal fragment of Cbl-b Deposited 2011-08-18 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 39–426(388 aa) Fragment:N-terminal fragment, UNP residues 39-426
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8.4;293 K;25% PEG 3350, 0.1M bicine, 0.8M KNO3, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.10 Å R-free 0.328
3VGO Crystal structure of the N-terminal fragment of Cbl-b Deposited 2011-08-18 Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain C 39–426(388 aa) Fragment:N-terminal fragment, UNP residues 39-426
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8.4;293 K;25% PEG 3350, 0.1M bicine, 0.8M KNO3, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.10 Å R-free 0.328
3ZNI Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex Deposited 2013-02-14 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
Chain A 36–427(392 aa) Fragment:RESIDUES 36-427
Mutation:YES Non-standard monomer:Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M BICINE, PH 9.0, 8-11% (W/V) PEG 3350 AND 0.1 M SODIUM FORMATE
Resolution 2.21 Å R-free 0.211
3ZNI Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex Deposited 2013-02-14 Assembly 2 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
Chain E 36–427(392 aa) Fragment:RESIDUES 36-427
Mutation:YES Non-standard monomer:Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M BICINE, PH 9.0, 8-11% (W/V) PEG 3350 AND 0.1 M SODIUM FORMATE
Resolution 2.21 Å R-free 0.211
3ZNI Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex Deposited 2013-02-14 Assembly 3 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
Chain I 36–427(392 aa) Fragment:RESIDUES 36-427
Mutation:YES Non-standard monomer:Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M BICINE, PH 9.0, 8-11% (W/V) PEG 3350 AND 0.1 M SODIUM FORMATE
Resolution 2.21 Å R-free 0.211
3ZNI Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex Deposited 2013-02-14 Assembly 4 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
Chain M 36–427(392 aa) Fragment:RESIDUES 36-427
Mutation:YES Non-standard monomer:Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M BICINE, PH 9.0, 8-11% (W/V) PEG 3350 AND 0.1 M SODIUM FORMATE
Resolution 2.21 Å R-free 0.211
8GCY Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor Deposited 2023-03-03 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 38–427(390 aa)
Not recorded ZN ZINC ION × 2 Z3N 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one × 1 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 1 UNX UNKNOWN LIGAND × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6.5;291 K;0.1 M Imidazole, 0.1 M MES monohydrate pH 6.5 0.09 M Sodium nitrate, 0.09 M Sodium phosphate dibasic, 0.09M Ammonium sulfate 12.5% v/v MPD; 12.5% PEG1000; 12.5% w/v PEG 3350
Resolution 1.81 Å R-free 0.230
8QNG Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1) Deposited 2023-09-26 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Not recorded W89 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide × 1 ZN ZINC ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;9 % PEG8000, 0.05 M MgAcetate, 0.05 M PCTP pH 7.5
Resolution 2.20 Å R-free 0.295
8QNH Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) Deposited 2023-09-26 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Not recorded Z3N 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one × 1 ZN ZINC ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;9 % PEG8000, 5 % MPD, 0.05 M MgAcetate, 0.05 M PCTP pH 8
Resolution 2.00 Å R-free 0.248
8QNI Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25) Deposited 2023-09-26 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Not recorded W7R 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide × 1 ZN ZINC ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;11 % PEG8000, 5 % MPD, 0.05 M MgAcetate, 0.05 M PCPT pH 8.0
Resolution 2.48 Å R-free 0.286
8QTG Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) Deposited 2023-10-12 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Not recorded WUQ 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one × 1 ZN ZINC ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;8-11 % PEG8000, 5 % MPD, 0.05 M MgAcetate, 0.05 M PCTP pH 8
Resolution 1.42 Å R-free 0.243
8QTH Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) Deposited 2023-10-12 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Not recorded WX0 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one × 1 ZN ZINC ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;8-11 % PEG8000, 2.5 % MPD, 0.05 M MgAcetate, 0.05 M PCTP pH 8
Resolution 2.20 Å R-free 0.260
8QTJ Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) Deposited 2023-10-12 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Not recorded ZN ZINC ION × 2 NA SODIUM ION × 1 WUI 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;8-11 % PEG8000, 2.5 % MPD, 0.05 M MgAcetate, 0.05 M PCTP pH 8
Resolution 1.52 Å R-free 0.232
8QTK Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) Deposited 2023-10-12 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Not recorded ZN ZINC ION × 2 NA SODIUM ION × 1 WX9 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;8-11 % PEG8000, 2.5 % MPD, 0.05 M MgAcetate, 0.05 M PCTP pH 8
Resolution 1.87 Å R-free 0.268
8VW4 Crystal structure of Cbl-b TKB bound to compound 26 Deposited 2024-01-31 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–343(308 aa) Fragment:Cbl-PTB domain, residues 36-343
Not recorded MG MAGNESIUM ION × 1 A1AEG (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;293 K;0.2 M NaCitrate, 20% PEG3350
Resolution 2.40 Å R-free 0.253
8VW4 Crystal structure of Cbl-b TKB bound to compound 26 Deposited 2024-01-31 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 36–343(308 aa) Fragment:Cbl-PTB domain, residues 36-343
Not recorded MG MAGNESIUM ION × 1 A1AEG (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;293 K;0.2 M NaCitrate, 20% PEG3350
Resolution 2.40 Å R-free 0.253
8VW5 Crystal structure of Cbl-b TKB bound to compound 2 Deposited 2024-01-31 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–343(308 aa) Fragment:Cbl-PTB domain, residues 36-343
Not recorded MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 A1AD4 [5-(2-{(2R,5S)-2-[2-(carboxymethoxy)-3-methoxy-5-nitrophenyl]-3,5-dimethyl-4-oxoimidazolidin-1-yl}-2-oxoethyl)-3,6-dimethoxy-9,9-dimethyl-9H-xanthen-4-yl]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;293 K;0.2 M Ca(OAc)2, 0.1 M NaCacodylate pH 6.5, 18% PEG8000
Resolution 1.76 Å R-free 0.204
8VW5 Crystal structure of Cbl-b TKB bound to compound 2 Deposited 2024-01-31 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 36–343(308 aa) Fragment:Cbl-PTB domain, residues 36-343
Not recorded CA CALCIUM ION × 1 A1AD4 [5-(2-{(2R,5S)-2-[2-(carboxymethoxy)-3-methoxy-5-nitrophenyl]-3,5-dimethyl-4-oxoimidazolidin-1-yl}-2-oxoethyl)-3,6-dimethoxy-9,9-dimethyl-9H-xanthen-4-yl]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;293 K;0.2 M Ca(OAc)2, 0.1 M NaCacodylate pH 6.5, 18% PEG8000
Resolution 1.76 Å R-free 0.204
9FQH E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) Deposited 2024-06-17 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Not recorded A1IEW 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one × 1 ZN ZINC ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;9 % PEG8000, 5 % MPD, 0.05 M MgAcetate, 0.05 M PCTP pH 8
Resolution 1.79 Å R-free 0.249
9FQI E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) Deposited 2024-06-17 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Not recorded A1IEV 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one × 1 ZN ZINC ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;11 % PEG8000, 0.05 M Mg Acetate, 5 % MPD, 0.05 M PCPT pH 8.0
Resolution 1.95 Å R-free 0.291
9FQJ E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) Deposited 2024-06-17 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 36–427(392 aa)
Mutation:EC:2.3.2.27 A1IE5 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide × 1 ZN ZINC ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;11 % PEG8000, 0.05 M Mg Acetate, 5 % MPD, 0.05 M PCPT pH 8.0
Resolution 1.56 Å R-free 0.222
9FQJ E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) Deposited 2024-06-17 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 36–427(392 aa)
Mutation:EC:2.3.2.27 A1IE5 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide × 1 ZN ZINC ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;11 % PEG8000, 0.05 M Mg Acetate, 5 % MPD, 0.05 M PCPT pH 8.0
Resolution 1.56 Å R-free 0.222