← Back to search
5okf

CH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with self-bound phosphopeptides

Method: X-RAY DIFFRACTION Dmax: 101.4 Å Quality: GOOD
▼

1. Protein Identity and Related Structures Protein Identity & Related Structures

14-3-3 protein sigma,Heat shock protein beta-6

Homo sapiens

UniProt O14558

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 12–19 Chain B； UniProt 12–19 Fragment：;Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19 ; Non-standard monomer：Yes (specific site not provided by mmCIF) CD CADMIUM ION × 11 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES buffer (pH 7.5), 1 M Naacetate, and 50 mM cadmium sulfate Resolution 3.20 Å R-free 0.279
2 Insufficient information Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain C； UniProt 12–19 Chain D； UniProt 12–19 Fragment：;Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19 ; Non-standard monomer：Yes (specific site not provided by mmCIF) CD CADMIUM ION × 6 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES buffer (pH 7.5), 1 M Naacetate, and 50 mM cadmium sulfate Resolution 3.20 Å R-free 0.279

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 5OKF Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
4JUS Crystal structure of a fragment of Human HSPB6 Deposited 2013-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 57–160（104 aa） Fragment：UNP residues 57-160
Chain B 57–160（104 aa） Fragment：UNP residues 57-160
Chain C 57–160（104 aa） Fragment：UNP residues 57-160
Chain D 57–160（104 aa） Fragment：UNP residues 57-160
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M HEPES (pH 7.5), 0.2M ammonium citrate, 21% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.268
4JUS Crystal structure of a fragment of Human HSPB6 Deposited 2013-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 57–160（104 aa） Fragment：UNP residues 57-160
Chain F 57–160（104 aa） Fragment：UNP residues 57-160
Chain G 57–160（104 aa） Fragment：UNP residues 57-160
Chain H 57–160（104 aa） Fragment：UNP residues 57-160
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M HEPES (pH 7.5), 0.2M ammonium citrate, 21% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.268
4JUT Crystal structure of a mutant fragment of Human HSPB6 Deposited 2013-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 57–160（104 aa） Fragment：UNP residues 57-160
Chain B 57–160（104 aa） Fragment：UNP residues 57-160
Chain C 57–160（104 aa） Fragment：UNP residues 57-160
Chain D 57–160（104 aa） Fragment：UNP residues 57-160
Mutation：E51A, E52A Mutation：E51A, E52A Mutation：E51A, E52A Mutation：E51A, E52A GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions hanging drop vapor diffusion；pH 7.5；277 K；0.1M HEPES (pH 7.5), 0.2M litium nitrate, 20% PEG 3350, hanging drop vapor diffusion, temperature 277K
Resolution 2.20 Å R-free 0.250
4JUT Crystal structure of a mutant fragment of Human HSPB6 Deposited 2013-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 57–160（104 aa） Fragment：UNP residues 57-160
Chain F 57–160（104 aa） Fragment：UNP residues 57-160
Chain G 57–160（104 aa） Fragment：UNP residues 57-160
Chain H 57–160（104 aa） Fragment：UNP residues 57-160
Mutation：E51A, E52A Mutation：E51A, E52A Mutation：E51A, E52A Mutation：E51A, E52A GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions hanging drop vapor diffusion；pH 7.5；277 K；0.1M HEPES (pH 7.5), 0.2M litium nitrate, 20% PEG 3350, hanging drop vapor diffusion, temperature 277K
Resolution 2.20 Å R-free 0.250
5LTW Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 Deposited 2016-09-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–149（149 aa） Fragment：UNP Residues 1-149
Chain D 1–149（149 aa） Fragment：UNP Residues 1-149
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES (pH 7.5), 0.2 M LiCl, 17% PEG 6000 and 2 mM DTT
Resolution 4.50 Å R-free 0.256
5LTW Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 Deposited 2016-09-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 1–149（149 aa） Fragment：UNP Residues 1-149
Chain H 1–149（149 aa） Fragment：UNP Residues 1-149
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES (pH 7.5), 0.2 M LiCl, 17% PEG 6000 and 2 mM DTT
Resolution 4.50 Å R-free 0.256
5LTW Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 Deposited 2016-09-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain K 1–149（149 aa） Fragment：UNP Residues 1-149
Chain L 1–149（149 aa） Fragment：UNP Residues 1-149
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES (pH 7.5), 0.2 M LiCl, 17% PEG 6000 and 2 mM DTT
Resolution 4.50 Å R-free 0.256
5LU1 Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide Deposited 2016-09-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 13–20（8 aa） Fragment：UNP residues 13-20
Chain D 13–20（8 aa） Fragment：UNP residues 13-20
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Bis-Tris propane (pH 6.5), 0.2 M NaNO3 and 20% PEG 3350
Resolution 2.40 Å R-free 0.214
5LU1 Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide Deposited 2016-09-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 13–20（8 aa） Fragment：UNP residues 13-20
Chain H 13–20（8 aa） Fragment：UNP residues 13-20
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Bis-Tris propane (pH 6.5), 0.2 M NaNO3 and 20% PEG 3350
Resolution 2.40 Å R-free 0.214
5LU2 Human 14-3-3 sigma complexed with long HSPB6 phosphopeptide Deposited 2016-09-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 11–23（13 aa） Fragment：UNP residues 11-23
Chain D 11–23（13 aa） Fragment：UNP residues 11-23
Non-standard monomer：Yes (specific site not provided by mmCIF) 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, SITTING DROP；pH 7.5；277 K；0.1 M HEPES (pH 7.5), 0.2 M MgCl2 and 30% PEG 400
Resolution 2.50 Å R-free 0.250
5LUM Alpha-crystallin domain of human HSPB6 patched with its N-terminal peptide Deposited 2016-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 72–149（78 aa） Fragment：ACD domain, UNP Residues 72-149
Chain F 2–10（9 aa） Fragment：UNP Residues 2-10
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M Tris-HCl (pH6.5),1.5M ammonium sulfate, 0.1M NaCl
Resolution 2.60 Å R-free 0.227
5LUM Alpha-crystallin domain of human HSPB6 patched with its N-terminal peptide Deposited 2016-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain B 72–149（78 aa） Fragment：ACD domain, UNP Residues 72-149
Chain C 72–149（78 aa） Fragment：ACD domain, UNP Residues 72-149
Chain G 2–10（9 aa） Fragment：UNP Residues 2-10
Chain H 2–10（9 aa） Fragment：UNP Residues 2-10
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M Tris-HCl (pH6.5),1.5M ammonium sulfate, 0.1M NaCl
Resolution 2.60 Å R-free 0.227
5LUM Alpha-crystallin domain of human HSPB6 patched with its N-terminal peptide Deposited 2016-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain D 72–149（78 aa） Fragment：ACD domain, UNP Residues 72-149
Chain E 72–149（78 aa） Fragment：ACD domain, UNP Residues 72-149
Chain I 2–10（9 aa） Fragment：UNP Residues 2-10
Chain J 2–10（9 aa） Fragment：UNP Residues 2-10
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M Tris-HCl (pH6.5),1.5M ammonium sulfate, 0.1M NaCl
Resolution 2.60 Å R-free 0.227
5OK9 CH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with swapped phosphopeptides Deposited 2017-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 12–19（8 aa）
Chain B 12–19（8 aa）
Chain E 12–19（8 aa）
Chain F 12–19（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) PEG DI(HYDROXYETHYL)ETHER × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MMT (malateMES-Tris) buffer (pH 4) and 25% PEG 1500
Resolution 2.35 Å R-free 0.240

7 other PDB entries and 14 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name HSPB6_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 239–246； UniProt 12–19 Author chain B； PDBConstruct 239–246； UniProt 12–19 Author chain C； PDBConstruct 239–246； UniProt 12–19 Author chain D； PDBConstruct 239–246； UniProt 12–19

14-3-3 protein sigma,Heat shock protein beta-6

Homo sapiens

UniProt P31947

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 1–231 Chain B； UniProt 1–231 Fragment：;Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19 ; Non-standard monomer：Yes (specific site not provided by mmCIF) CD CADMIUM ION × 11 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES buffer (pH 7.5), 1 M Naacetate, and 50 mM cadmium sulfate Resolution 3.20 Å R-free 0.279
2 Insufficient information Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain C； UniProt 1–231 Chain D； UniProt 1–231 Fragment：;Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19,Phosphopeptide, UNP Residues 12-19 ; Non-standard monomer：Yes (specific site not provided by mmCIF) CD CADMIUM ION × 6 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES buffer (pH 7.5), 1 M Naacetate, and 50 mM cadmium sulfate Resolution 3.20 Å R-free 0.279

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 5OKF Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1YWT Crystal structure of the human sigma isoform of 14-3-3 in complex with a mode-1 phosphopeptide Deposited 2005-02-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Chain B 1–248（248 aa）
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；peg 3350, sodium flouride, calcium chloride, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.40 Å R-free 0.283
1YWT Crystal structure of the human sigma isoform of 14-3-3 in complex with a mode-1 phosphopeptide Deposited 2005-02-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–248（248 aa）
Chain B 1–248（248 aa）
Not recorded CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；peg 3350, sodium flouride, calcium chloride, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.40 Å R-free 0.283
1YZ5 The crystal structure of 14-3-3-sigma at 2.8 angstrom resolution Deposited 2005-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–248（248 aa）
Chain B 1–248（248 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；278 K；40% PEG 4000, 0.6M ammonium sulfate, 0.1M Tris/HCl, pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 278K
Resolution 2.80 Å R-free 0.292
3IQJ Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (10mer) Deposited 2009-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes/NaOH ph 7.5, 0.2M CaCl2, 28% PEG 400, 5% glycerol, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.15 Å R-free 0.153
3IQU Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (6mer) Deposited 2009-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes/NaOH ph 7.5, 0.2M CaCl2, 28% PEG 400, 5% glycerol, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.05 Å R-free 0.151
3IQV Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (6mer) and stabilisator Fusicoccin Deposited 2009-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM Hepes/NaOH pH 7.5, 2mM MgCl2 and 2 mM DTT, set up for crystallization in 0.1 M Hepes/NaOH ph 7.5, 0.2 M CaCl2, 28% PEG 400, 5% glycerol, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.20 Å R-free 0.153
3LW1 Binary complex of 14-3-3 sigma and p53 pT387-peptide Deposited 2010-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M HEPES, 0.2M calcium chloride, 28% PEG 400, 5% glycerol, 2mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.28 Å R-free 0.151
3MHR 14-3-3 sigma in complex with YAP pS127-peptide Deposited 2010-04-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP RESIDUES 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 8 CL CHLORIDE ION × 8 CA CALCIUM ION × 2 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.15 Å R-free 0.153
3O8I Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment Deposited 2010-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：C-terminal deletion
Not recorded M1T 6,6-dihydroxy-1-methoxyhexan-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；0.095M HEPES Na, 26.6%(v/v) PEG400, 0.19M CaCl2, 5%(v/v) Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.00 Å R-free 0.239
3P1N Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide Deposited 2010-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.40 Å R-free 0.174
3P1O Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilisator Fusicoccin A Deposited 2010-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 2 MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.234
3P1P Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide Deposited 2010-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N, N166H CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277.15 K；0.095M HEPES Na-Salt, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 1.95 Å R-free 0.227
3P1Q Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 Peptide and stabilizer fusicoccin A Deposited 2010-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N,N166H FSC FUSICOCCIN × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277.15 K；0.095M HEPES Na-Salt, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 1.70 Å R-free 0.217
3P1R Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide Deposited 2010-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38V, N166H MG MAGNESIUM ION × 8 CL CHLORIDE ION × 8 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.194
3P1S Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer fusicoccin A Deposited 2010-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38V, N166H FSC FUSICOCCIN × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277.15 K；0.095M HEPES Na-Salt, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 1.65 Å R-free 0.201
3SMK Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenin A Deposited 2011-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38V N166H CW7 Cotylenin A × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å R-free 0.237
3SML Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin A aglycone Deposited 2011-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N N166H FW1 Fusicoccin A aglycone × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.206
3SMM Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone Deposited 2011-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N N166H FJA Fusicoccin J aglycone × 2 MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.216
3SMN Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin A-THF Deposited 2011-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N N166H FC7 Fusicoccin A-THF × 2 MG MAGNESIUM ION × 4 CA CALCIUM ION × 4 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.203
3SMO Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin J aglycone Deposited 2011-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38V N166H FJA Fusicoccin J aglycone × 2 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.203
3SP5 Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol Deposited 2011-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38V N166H CX7 Cotylenol × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.211
3SP5 Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol Deposited 2011-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Mutation：C38V N166H CX7 Cotylenol × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.211
3SPR Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF Deposited 2011-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38V N166H FC7 Fusicoccin A-THF × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.99 Å R-free 0.250
3T0L Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2011-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded 1CT [2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid × 2 GOL GLYCEROL × 4 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；0.095M HEPES Na salt, 0.19M calcium chloride, 5% glycerol, 28% PEG 400, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.190
3T0M Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2011-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded 2CT (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid × 2 GOL GLYCEROL × 4 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.095M HEPES Na salt, 0.19M calcium chloride, 5% glycerol, 25.6% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.62 Å R-free 0.198
3U9X Covalent attachment of pyridoxal-phosphate derivatives to 14-3-3 proteins Deposited 2011-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CL CHLORIDE ION × 6 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.095M HEPES Na, 26.6% PEG400, 0.1M Calcium chloride, 5% Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.188
3UX0 Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer Fusicoccin H Deposited 2011-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 8 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 0DV (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 26.6% PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.75 Å R-free 0.192
4DAT Structure of 14-3-3 sigma in complex with PADI6 14-3-3 binding motif II Deposited 2012-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；26.6% v/v PEG400, 0.19 M calcium chloride, 5% v/v glycerol, 0.095 M HEPES sodium, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.40 Å R-free 0.183
4DAU Structure of 14-3-3 sigma in complex with PADI6 14-3-3 binding motif I Deposited 2012-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；26.6% v/v PEG400, 0.19 M calcium chloride, 5% v/v glycerol, 0.095 M HEPES sodium, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.228
4DHM Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2012-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded MG MAGNESIUM ION × 6 CL CHLORIDE ION × 6 GOL GLYCEROL × 2 0KB [2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 28% PEG400, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.187
4DHN Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2012-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded MG MAGNESIUM ION × 6 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 0KC {2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 28% PEG400, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.185
4DHO Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2012-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded MG MAGNESIUM ION × 8 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 Y09 (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 28% PEG400, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.203
4DHP Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2012-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 10 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 Y07 [2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 26% PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.75 Å R-free 0.196
4DHQ Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2012-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 10 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 Y06 (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 27% PEG400, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.75 Å R-free 0.189
4DHR Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2012-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 10 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 Y04 (2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 28% PEG400, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.40 Å R-free 0.158
4DHS Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2012-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 Y03 (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 28% PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.74 Å R-free 0.193
4DHT Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2012-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP resiudes 1-231
Not recorded MG MAGNESIUM ION × 4 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 0KG {2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 28% PEG400, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.206
4DHU Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening Deposited 2012-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa） Fragment：UNP resiudes 1-231
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 10 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 0KH (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 27% PEG400, pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.67 Å R-free 0.176
4FL5 Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS214 Deposited 2012-06-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 CA CALCIUM ION × 6 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M Hepes/NaOH pH 7.5, 0.2 M CaCl2, 28% PEG 400, 5% glycerol, 2 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.212
4FR3 Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer 16-O-Me-FC-H Deposited 2012-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0V4 (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, Vapor Diffusion, Hanging Drop, temperature 277K
Resolution 1.90 Å R-free 0.209
4IEA 14-3-3 isoform sigma in complex with a phosphorylated C-RAF peptide Deposited 2012-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；95 mM Na-HEPES pH 7.4, 25.6 % PEG 400, 190 mM CaCl2, 5 % Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.208
4JC3 14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface Deposited 2013-02-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 26.6% PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.235
4JDD 14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface Deposited 2013-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded FSC FUSICOCCIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 26.6% PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.10 Å R-free 0.232
4QLI A novel phospho-switch in the linker region of the snail zinc finger protein which regulates 14-3-3 association, DNA binding and epithelial-mesenchymal differentiation Deposited 2014-06-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded MG MAGNESIUM ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.1 M HEPES, pH 7.5, 0.2 M calcium chloride, 28% PEG400, 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 1.45 Å R-free 0.203
4Y32 Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma Deposited 2015-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Not recorded 49F (2S)-2-(2-methoxyethyl)pyrrolidine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.1 M Hepes/NaOH pH 7.1, 0.19 M CaCl2, 24% PEG 400, 5% glycerol
Resolution 1.70 Å R-free 0.238
4Y5I Crystal structure of C-terminal modified Tau peptide-hybrid 126B with 14-3-3sigma Deposited 2015-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Chain B 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.1 M Hepes/NaOH pH 7.1, 0.19 M CaCl2, 24% PEG 400, 5% glycerol
Resolution 1.40 Å R-free 0.172
5BTV Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS324 Deposited 2015-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Hepes/NaOH pH 7.5, 0.2 M CaCl2, 28% PEG 400, 5% glycerol, 2 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.203
5HF3 Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma Deposited 2016-01-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
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 7.1；277 K；0.1 M Hepes/NaOH pH 7.1, 0.19 M CaCl2, 24% PEG 400, 5% glycerol
Resolution 1.80 Å R-free 0.205
5LTW Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 Deposited 2016-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Mutation：K162A, K163A, E164A Mutation：K162A, K163A, E164A TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES (pH 7.5), 0.2 M LiCl, 17% PEG 6000 and 2 mM DTT
Resolution 4.50 Å R-free 0.256
5LTW Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 Deposited 2016-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–231（231 aa）
Chain F 1–231（231 aa）
Mutation：K162A, K163A, E164A Mutation：K162A, K163A, E164A TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES (pH 7.5), 0.2 M LiCl, 17% PEG 6000 and 2 mM DTT
Resolution 4.50 Å R-free 0.256
5LTW Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 Deposited 2016-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain I 1–231（231 aa）
Chain J 1–231（231 aa）
Mutation：K162A, K163A, E164A Mutation：K162A, K163A, E164A TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES (pH 7.5), 0.2 M LiCl, 17% PEG 6000 and 2 mM DTT
Resolution 4.50 Å R-free 0.256
5LU1 Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide Deposited 2016-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Chain B 1–231（231 aa） Fragment：UNP residues 1-231
Mutation：CLU3 Mutation：CLU3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Bis-Tris propane (pH 6.5), 0.2 M NaNO3 and 20% PEG 3350
Resolution 2.40 Å R-free 0.214
5LU1 Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide Deposited 2016-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–231（231 aa） Fragment：UNP residues 1-231
Chain F 1–231（231 aa） Fragment：UNP residues 1-231
Mutation：CLU3 Mutation：CLU3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Bis-Tris propane (pH 6.5), 0.2 M NaNO3 and 20% PEG 3350
Resolution 2.40 Å R-free 0.214
5LU2 Human 14-3-3 sigma complexed with long HSPB6 phosphopeptide Deposited 2016-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Chain B 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.1 M HEPES (pH 7.5), 0.2 M MgCl2 and 30% PEG 400
Resolution 2.50 Å R-free 0.250
5MHC Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide Deposited 2016-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES pH 7.5, 26% PEG400, 0.19 M CaCl2, 5% glycerol
Resolution 1.20 Å R-free 0.165
5MOC Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide Deposited 2016-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol
Resolution 1.80 Å R-free 0.208
5MXO Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A Deposited 2017-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded FSC FUSICOCCIN × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol
Resolution 1.20 Å R-free 0.182
5MY9 Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS935 Deposited 2017-01-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；HEPES, NaCl, DTT
Resolution 1.33 Å R-free 0.201
5MYC Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS910 Deposited 2017-01-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 4 CL CHLORIDE ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；277 K；HEPES, NaCl2, PEG400, Glycerol
Resolution 1.46 Å R-free 0.189
5N5R 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV1 Deposited 2017-02-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 NV1 2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095M Na-HEPES pH 7.1, 28% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.182
5N5T 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV2 Deposited 2017-02-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 8OB 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M Na-HEPES pH 7.1, 28% PEG400, 0.19 M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.184
5N5W 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV3 Deposited 2017-02-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 CL CHLORIDE ION × 4 CA CALCIUM ION × 2 8OE 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M Na-HEPES pH 7.1, 28% PEG400, 0.19 M Calcium chloride, 5% Glycerol
Resolution 1.37 Å R-free 0.165
5N75 14-3-3 sigma in complex with TAZ pS89 peptide Deposited 2017-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 CL CHLORIDE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 28% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.186
5OEG Molecular tweezers modulate 14-3-3 protein-protein interactions Deposited 2017-07-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Not recorded 9SZ (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；277.15 K；0.1 M Tris/HCl, 10% PEG 8000, 500 mM MgCl2, pH 7
Resolution 3.15 Å R-free 0.266
5OEH Molecular tweezers modulate 14-3-3 protein-protein interactions. Deposited 2017-07-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Not recorded 9SZ (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277.15 K；0.09 M HEPES sodium salt, 1.26 M Tri-Sodium Citrate, 10 % Glycerol, pH 7.5
Resolution 2.35 Å R-free 0.264
5OK9 CH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with swapped phosphopeptides Deposited 2017-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Chain E 1–231（231 aa）
Chain F 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) PEG DI(HYDROXYETHYL)ETHER × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MMT (malateMES-Tris) buffer (pH 4) and 25% PEG 1500
Resolution 2.35 Å R-free 0.240
5OM0 CH2 chimera of human 14-3-3 sigma with the Gli1 phosphopeptide around Ser640 Deposited 2017-07-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-Tris (pH 6.5), 2 M ammonium sulfate
Resolution 3.20 Å R-free 0.267
5OM0 CH2 chimera of human 14-3-3 sigma with the Gli1 phosphopeptide around Ser640 Deposited 2017-07-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-Tris (pH 6.5), 2 M ammonium sulfate
Resolution 3.20 Å R-free 0.267
5OMA CH3 chimera of human 14-3-3 sigma with the StARD1 peptide including Ser57 Deposited 2017-07-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–231（231 aa）
Chain C 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-Trispropane pH 6.5, 0.2 M ammonium sulfate, 25% PEG 3350
Resolution 3.90 Å R-free 0.248
5OMA CH3 chimera of human 14-3-3 sigma with the StARD1 peptide including Ser57 Deposited 2017-07-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–231（231 aa）
Chain D 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-Trispropane pH 6.5, 0.2 M ammonium sulfate, 25% PEG 3350
Resolution 3.90 Å R-free 0.248
6FAU Crystal structure of C-terminal modified Tau peptide-hybrid 4.2e-I with 14-3-3sigma Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain C 1–231（231 aa）
Not recorded NA SODIUM ION × 7 D3W (2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；25% PEG400, 10 mM HEPES pH 7.1, 5% glycerol, 0.19 M CaCl2
Resolution 1.25 Å R-free 0.164
6FAV Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-I with 14-3-3sigma Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain C 1–231（231 aa）
Not recorded NA SODIUM ION × 5 D3Q (2~{R})-2-[(~{R})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；26% PEG400, 10 mM HEPES pH 7.1, 5% glycerol, 0.19 M CaCl2
Resolution 1.40 Å R-free 0.171
6FAW Crystal structure of C-terminal modified Tau peptide-hybrid 4.2c-I with 14-3-3sigma Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain C 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 NA SODIUM ION × 2 D3K (2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；25% PEG400, 10 mM HEPES pH 7.5, 5% glycerol, 0.19 M CaCl 2
Resolution 1.40 Å R-free 0.171
6FBB Crystal structure of 14-3-3 sigma in complex with wild-type Shroom3 Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M HEPES pH7.3 0.19 M CaCl2 26% PEG400 5% glycerol
Resolution 1.30 Å R-free 0.166
6FBW Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-II with 14-3-3sigma Deposited 2017-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain C 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 NA SODIUM ION × 4 D4K (2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；277 K；24% PEG400, 10 mM HEPES pH 7.3, 5% glycerol, 0.19 M CaCl2
Resolution 1.45 Å R-free 0.178
6FBY Crystal structure of C-terminal modified Tau peptide-hybrid 4.2b with 14-3-3sigma Deposited 2017-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain C 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 NA SODIUM ION × 4 D4H (2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；24% PEG400, 10 mM HEPES pH 7.1, 5% glycerol, 0.19 M CaCl 2
Resolution 1.50 Å R-free 0.180
6FCP Crystal structure of 14-3-3 sigma in complex with Shroom3 P1244L Deposited 2017-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH7.3 0.19M CaCl2 26% v/v PEG400 5% v/v glycerol
Resolution 1.45 Å R-free 0.158
6FI4 Crystal structure of C-terminal modified Tau peptide-hybrid 3.2e with 14-3-3sigma Deposited 2018-01-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 2 CL CHLORIDE ION × 2 NA SODIUM ION × 2 60H (2~{S})-2-(diphenylmethyl)pyrrolidine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；25% PEG400, 20 mM HEPES pH 7.1, 5% glycerol, 0.19 M CaCl2
Resolution 2.00 Å R-free 0.229
6FI5 Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma Deposited 2018-01-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 NA SODIUM ION × 8 60H (2~{S})-2-(diphenylmethyl)pyrrolidine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；25% PEG400, 20 mM HEPES, pH 7.1, 5% glycerol, 0.19 M CaCl2
Resolution 1.70 Å R-free 0.227
6G6X 14-3-3sigma in complex with a P129beta3P mutated YAP pS127 phosphopeptide Deposited 2018-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 8 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol
Resolution 1.13 Å R-free 0.168
6G8I 14-3-3sigma in complex with a R124beta3R mutated YAP pS127 phosphopeptide Deposited 2018-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.5, 26% PEG400, 0.19 M CaCl2, 5% glycerol
Resolution 1.60 Å R-free 0.173
6G8J 14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide Deposited 2018-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol
Resolution 1.47 Å R-free 0.173
6G8K 14-3-3sigma in complex with a S131beta3S mutated YAP pS127 phosphopeptide Deposited 2018-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol
Resolution 1.25 Å R-free 0.160
6G8L 14-3-3sigma in complex with a L132beta3L mutated YAP pS127 phosphopeptide Deposited 2018-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol
Resolution 1.37 Å R-free 0.157
6G8P 14-3-3sigma in complex with a P129beta3P and L132beta3L mutated YAP pS127 phosphopeptide Deposited 2018-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol
Resolution 1.90 Å R-free 0.159
6G8Q 14-3-3sigma in complex with a A130beta3A and Q133beta3Q mutated YAP pS127 phosphopeptide Deposited 2018-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 2 CL CHLORIDE ION × 4 NA SODIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol
Resolution 1.85 Å R-free 0.175
6GHP 14-3-3sigma in complex with a TASK3 peptide stabilized by semi-synthetic natural product FC-NAc Deposited 2018-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EZ5 ~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide × 2 CL CHLORIDE ION × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；278 K；0.095 M HEPES, pH 7.1, 26% v/v PEG400, 0.19 M CaCl2, 5% v/v glycerol
Resolution 1.95 Å R-free 0.231
6HHP Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 1 Deposited 2018-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N, N42C MG MAGNESIUM ION × 6 G4Z (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400
Resolution 1.80 Å R-free 0.215
6HKB Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3 Deposited 2018-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N, N42C MG MAGNESIUM ION × 6 G8Q (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG400
Resolution 1.70 Å R-free 0.200
6HKF Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 4 Deposited 2018-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N, N42C MG MAGNESIUM ION × 6 G8T (1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400
Resolution 1.80 Å R-free 0.211
6HMT Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 2 Deposited 2018-09-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N, N42C MG MAGNESIUM ION × 2 GEH 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400
Resolution 1.10 Å R-free 0.184
6HMU Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C45 mutant bound to disulfide fragment PPI stabilizer 6 Deposited 2018-09-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N, S45C MG MAGNESIUM ION × 4 GE8 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400
Resolution 1.20 Å R-free 0.206
6HN2 Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5 Deposited 2018-09-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N, N42C MG MAGNESIUM ION × 4 GF8 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400
Resolution 1.70 Å R-free 0.208
6NV2 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005 Deposited 2019-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 0V4 (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.13 Å R-free 0.179
6QDR Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide Deposited 2019-01-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 4 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 NA SODIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.19 M CaCl2, 5% v/v glycerol, 28 % PEG400, 0.095 M HEPES, pH 7.1
Resolution 1.61 Å R-free 0.182
6QDS Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide stabilized by semi-synthetic fusicoccane FC-NCPC Deposited 2019-01-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded HY5 FC-NCPC × 2 CL CHLORIDE ION × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.19 M CaCl2, 5 % v/v glycerol, 28 % PEG 400, 0.095 M HEPES, pH 7.1
Resolution 1.72 Å R-free 0.198
6QDT Crystal structure of 14-3-3sigma in complex with a RapGef2 pT740 phosphopeptide Deposited 2019-01-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 2 CL CHLORIDE ION × 2 NA SODIUM ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.19 M CaCl2, 5% v/v glycerol, 28 % PEG 400, 0.095 M HEPES, pH 7.1
Resolution 1.70 Å R-free 0.192
6QDU Crystal structure of 14-3-3sigma in complex with a RapGef2 pT740 phosphopeptide inhibited by semi-synthetic fusicoccane FC-NCPC Deposited 2019-01-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Not recorded HY5 FC-NCPC × 2 TPO PHOSPHOTHREONINE × 2 CL CHLORIDE ION × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.19 M CaCl2, 5% v/v glycerol, 28 % PEG 400, 0.095 M HEPES, pH 7.1
Resolution 1.63 Å R-free 0.196
6QHL 14-3-3 sigma with RelA/p65 binding site pS45 Deposited 2019-01-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 28% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.164
6QHM 14-3-3 sigma with RelA/p65 binding site pS281 Deposited 2019-01-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
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；277 K；0.095 M HEPES Na pH 7.1, 28% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.25 Å R-free 0.160
6QIU Crystal structure of 14-3-3 sigma in complex with Ataxin-1 Ser776 phosphopeptide Deposited 2019-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M Hepes (pH 7.1, 7.3, 7.5, 7.7), 0.19 M CaCl2, 5% glycerol, 24-29% PEG 400.
Resolution 1.80 Å R-free 0.193
6QZR 14-3-3 sigma in complex with FOXO1 pT24 peptide Deposited 2019-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Chain C 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1M Bis-Tris propane pH 7, 0.2M Sodium nitrate, 28% (w/v) PEG400, 5% (w/v) glycerol
Resolution 2.30 Å R-free 0.267
6QZR 14-3-3 sigma in complex with FOXO1 pT24 peptide Deposited 2019-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–248（248 aa）
Chain D 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1M Bis-Tris propane pH 7, 0.2M Sodium nitrate, 28% (w/v) PEG400, 5% (w/v) glycerol
Resolution 2.30 Å R-free 0.267
6QZR 14-3-3 sigma in complex with FOXO1 pT24 peptide Deposited 2019-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–248（248 aa）
Chain H 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1M Bis-Tris propane pH 7, 0.2M Sodium nitrate, 28% (w/v) PEG400, 5% (w/v) glycerol
Resolution 2.30 Å R-free 0.267
6QZR 14-3-3 sigma in complex with FOXO1 pT24 peptide Deposited 2019-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 1–248（248 aa）
Chain G 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1M Bis-Tris propane pH 7, 0.2M Sodium nitrate, 28% (w/v) PEG400, 5% (w/v) glycerol
Resolution 2.30 Å R-free 0.267
6QZS 14-3-3 sigma in complex with FOXO1 pS256 peptide Deposited 2019-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Chain B 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 2 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277.15 K；0.1 M Bis-Tris propane, pH7 0.2 M Sodium citrate tribasic dihydrate 20 % w/v PEG 3350 10 % w/v Glycerol
Resolution 1.90 Å R-free 0.216
6R5L Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 JT2 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；Hepes pH 7.5, PEG 400, glycerol, Calcium chloride, DTT
Resolution 1.88 Å R-free 0.238
6RHC Fragment AZ-003 binding at the TAZpS89/14-3-3 sigma interface Deposited 2019-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 CL CHLORIDE ION × 4 K48 5-azanyl-4-phenyl-thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；Protein and peptide were mixed at a 1:2 molar stoichiometry with a final protein concentration of 12 mg/mL in crystallization buffer. This was used during hanging-drop crystallization in a 1:1 ratio with 0.1 M HEPES pH 7.5, 0.2 M CaCl2, 5% glycerol, 2 mM BME and 28% PEG400. Crystals were grown within 10 days at 4 C and fragment soaking was performed on crystals of 10 days and older by adding 0.2 uL of a 100 mM stock solution in dimethyl sulfoxide to 2 uL drops containing multiple crystals.
Resolution 1.20 Å R-free 0.197
6RJL Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface Deposited 2019-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded K5Z 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M Na-HEPES pH 7.1, 27% PEG400, 0.19 M Calcium chloride, 5% Glycerol
Resolution 1.28 Å R-free 0.197
6RJQ Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface Deposited 2019-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded JT2 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M Na-HEPES pH 7.1, 27% PEG400, 0.19 M Calcium chloride, 5% Glycerol
Resolution 1.89 Å R-free 0.232
6RJZ Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 K6B 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.58 Å R-free 0.218
6RK8 Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 K6N 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.60 Å R-free 0.229
6RKI Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 K6T 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.88 Å R-free 0.206
6RKK Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 K6W 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.88 Å R-free 0.272
6RKM Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 K6Z 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.88 Å R-free 0.230
6RL3 Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 K48 5-azanyl-4-phenyl-thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.30 Å R-free 0.192
6RL4 Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 K7N 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.60 Å R-free 0.180
6RL6 Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 K7Q ~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.60 Å R-free 0.183
6RM5 Fragment AZ-016 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 K8W 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.88 Å R-free 0.207
6RM7 Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 K92 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.60 Å R-free 0.169
6RP6 Fragment AZ-019 binding at the TAZpS89/14-3-3 sigma interface Deposited 2019-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded KDK 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide × 2 CA CALCIUM ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M Na-HEPES pH 7.1, 27% PEG400, 0.19 M Calcium chloride, 5% Glycerol
Resolution 1.89 Å R-free 0.220
6RWH Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex Deposited 2019-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded KLB 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide × 4 CA CALCIUM ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.68 Å R-free 0.227
6RWI Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded KLE 5-phenylthiophene-2-carboximidamide × 2 CA CALCIUM ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.65 Å R-free 0.204
6RWS Fragment AZ-009 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded KLZ 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.53 Å R-free 0.200
6RWU Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded KM8 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.46 Å R-free 0.221
6RX2 Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CA CALCIUM ION × 2 KM2 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.82 Å R-free 0.220
6S39 Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-06-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded K5Z 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.88 Å R-free 0.388
6S3C Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-06-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 KDK 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 2.00 Å R-free 0.252
6S40 Fragment AZ-001 binding at the p53pT387/14-3-3 sigma interface and additional sites Deposited 2019-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded MG MAGNESIUM ION × 8 CL CHLORIDE ION × 2 KTW 4-chloranyl-1-benzothiophene-2-carboximidamide × 8 GOL GLYCEROL × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.90 Å R-free 0.197
6S9Q Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex Deposited 2019-07-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded L1T 4-methyl-5-phenyl-thiophene-2-carboximidamide × 6 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
Resolution 1.69 Å R-free 0.226
6SIN Fragment AZ-020 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-08-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded K65 ~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
Resolution 1.64 Å R-free 0.211
6SIO Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-08-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 LFQ 5-methyl-4-phenyl-thiophene-2-carboximidamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
Resolution 1.60 Å R-free 0.195
6SIP Fragment AZ-011 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-08-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 LFB 7-methoxy-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
Resolution 1.60 Å R-free 0.196
6SIQ Fragment AZ-012 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-08-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 LF5 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
Resolution 1.60 Å R-free 0.217
6SLV Fragment AZ-013 binding at the p53pT387/14-3-3 sigma interface Deposited 2019-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 LJW 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
Resolution 1.90 Å R-free 0.218
6SLW Fragment AZ-004 binding at the TAZpS89/14-3-3 sigma interface Deposited 2019-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded L1T 4-methyl-5-phenyl-thiophene-2-carboximidamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M Na-HEPES pH 7.1, 27% PEG400, 0.19 M Calcium chloride, 5% Glycerol
Resolution 2.00 Å R-free 0.215
6SLX Fragment AZ-010 binding at the TAZpS89/14-3-3 sigma interface Deposited 2019-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded KM8 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M Na-HEPES pH 7.1, 27% PEG400, 0.19 M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.218
6T5F Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-195 Deposited 2019-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：Human 14-3-3 sigma protein is fused to the StARD1 peptide, though not clear which chains connect together in the structure.
Chain B 1–231（231 aa） Fragment：Human 14-3-3 sigma protein is fused to the StARD1 peptide, though not clear which chains connect together in the structure.
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；283 K；20% w/v polyethylene glycol 3350
Resolution 2.63 Å R-free 0.260
6T5F Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-195 Deposited 2019-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–231（231 aa） Fragment：Human 14-3-3 sigma protein is fused to the StARD1 peptide, though not clear which chains connect together in the structure.
Chain D 1–231（231 aa） Fragment：Human 14-3-3 sigma protein is fused to the StARD1 peptide, though not clear which chains connect together in the structure.
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；283 K；20% w/v polyethylene glycol 3350
Resolution 2.63 Å R-free 0.260
6T5H Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-57 Deposited 2019-10-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) PGE TRIETHYLENE GLYCOL × 3 IMD IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；279 K；0.09 M NPS mix (0.3 M sodium nitrate, 0.3 M sodium phosphate dibasic, 0.3 M ammonium sulfate), 0.1 M Buffer mix (1.0 M Imidazole; MES), 25% v/v MPD; 25% polyethylene glycol 1000; 25% w/v polyethylene glycol 3350, pH 6.5
Resolution 2.04 Å R-free 0.229
6T80 Human 14-3-3 sigma fused to the AANAT peptide including phosphoserine-205 Deposited 2019-10-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：This is a fusion protein with AANAT peptide, however it is not clear which chain this is linked to.
Chain B 1–231（231 aa） Fragment：This is a fusion protein with AANAT peptide, however it is not clear which chain this is linked to.
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；0.1 M MIB mix (sodium malonate dibasic monohydrate, imidazole, boric acid), 25% w/v polyethylene glycol 1500, pH 7.0
Resolution 2.99 Å R-free 0.251
6T80 Human 14-3-3 sigma fused to the AANAT peptide including phosphoserine-205 Deposited 2019-10-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–231（231 aa） Fragment：This is a fusion protein with AANAT peptide, however it is not clear which chain this is linked to.
Chain D 1–231（231 aa） Fragment：This is a fusion protein with AANAT peptide, however it is not clear which chain this is linked to.
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；0.1 M MIB mix (sodium malonate dibasic monohydrate, imidazole, boric acid), 25% w/v polyethylene glycol 1500, pH 7.0
Resolution 2.99 Å R-free 0.251
6TCH Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder Deposited 2019-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M Na-HEPES pH 7.5 26.6% (v/v) PEG400 0.19 M Ca chloride 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.184
6TJM Crystal structure of an Estrogen Receptor alpha 8-mer phosphopeptide in complex with 14-3-3sigma stabilized by Pyrrolidone1 Deposited 2019-11-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 NE5 5-[(2R)-3-benzoyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris, pH 7.0, 10 % v/v PEG 8000
Resolution 1.85 Å R-free 0.218
6TL3 Crystal structure of an Estrogen Receptor alpha 8-mer phosphopeptide in complex with 14-3-3sigma stabilized by a Pyrrolidone1 derivative Deposited 2019-11-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) NJW 5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris, pH 7.0, 10 % v/v PEG 8000
Resolution 2.46 Å R-free 0.259
6TLF human 14-3-3 sigma isoform in complex with IMP Deposited 2019-12-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–248（248 aa）
Not recorded IMP INOSINIC ACID × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；281 K；40 % wt/vol PEG 4000, 600mM ammonium sulfate, 100 mM Tris-HCl, pH 9.0
Resolution 2.90 Å R-free 0.246
6TLG Ligand-free state of human 14-3-3 sigma isoform Deposited 2019-12-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–248（248 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；281 K；40 % wt/vol PEG 4000, 600mM ammonium sulfate, 100 mM Tris-HCl, pH 9.0
Resolution 2.40 Å R-free 0.254
6TM7 Human 14-3-3 sigma isoform in complex with PLP Deposited 2019-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–248（248 aa）
Chain B 1–248（248 aa）
Not recorded SO4 SULFATE ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；281 K；40 % wt/vol PEG 4000, 600mM ammonium sulfate, 100 mM Tris-HCl, pH 9.0
Resolution 3.00 Å R-free 0.269
6TWZ 14-3-3 sigma complexed with a phosphorylated 16E6 peptide Deposited 2020-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Not recorded TAR D(-)-TARTARIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG3350, 0.1M Bis-Tris-Propane (pH 6.5), 0.2M K/Na-tartarate
Resolution 2.80 Å R-free 0.236
6TWZ 14-3-3 sigma complexed with a phosphorylated 16E6 peptide Deposited 2020-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–231（231 aa）
Chain D 1–231（231 aa）
Not recorded TAR D(-)-TARTARIC ACID × 2 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG3350, 0.1M Bis-Tris-Propane (pH 6.5), 0.2M K/Na-tartarate
Resolution 2.80 Å R-free 0.236
6W0L Henipavirus W protein interacts with 14-3-3 to modulate host gene expression Deposited 2020-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；31% PEG 400, 0.1 M HEPES pH 7.5, 0.2 M CaCl2 and 2 mM DTT
Resolution 2.30 Å R-free 0.265
6XWD 14-3-3 sigma bound to canonical mono-phosphorylated aminopeptidase N (APN, CD13) binding motif Deposited 2020-01-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded NA SODIUM ION × 4 CA CALCIUM ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M HEPES pH7.3 0.19 M CaCl2 5% glycerol 28% PEG400
Resolution 1.60 Å R-free 0.196
6XXC Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4 Deposited 2020-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 O3W ~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), 0.19 M CaCl2, 25% (v/v) PEG 400 and 5% (v/v) glycerol
Resolution 1.30 Å R-free 0.181
6XY5 Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 5 Deposited 2020-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 O4E 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.3), 0.19 M CaCl2, 25% (v/v) PEG 400 and 5% (v/v) glycerol
Resolution 1.30 Å R-free 0.177
6Y18 Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3 Deposited 2020-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 O68 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), 0.19 M CaCl2, 25% (v/v) PEG 400 and 5% (v/v) glycerol
Resolution 1.30 Å R-free 0.182
6Y1D Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (DBD) phosphopeptide Deposited 2020-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), 0.19 M CaCl2, 25% (v/v) PEG 400 and 5% (v/v) glycerol
Resolution 1.38 Å R-free 0.187
6Y1J 14-3-3 sigma in complex with IkappaBalpha pS63 peptide Deposited 2020-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M Na-HEPES pH 7.1, 27% PEG400, 0.19 M Calcium chloride, 5% Glycerol
Resolution 1.13 Å R-free 0.183
6Y3M 14-3-3 Sigma in complex with phosphorylated ATPase peptide Deposited 2020-02-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.50 Å R-free 0.197
6Y3O 14-3-3 Sigma in complex with phosphorylated CAMKK2 peptide Deposited 2020-02-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.50 Å R-free 0.198
6Y3R 14-3-3 Sigma in complex with phosphorylated (Thr391) Gab2 peptide Deposited 2020-02-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.50 Å R-free 0.220
6Y3S 14-3-3 Sigma in complex with phosphorylated (pS210) Gab2 peptide Deposited 2020-02-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.95 Å R-free 0.211
6Y3V 14-3-3 Sigma in complex with phosphorylated c-Jun peptide Deposited 2020-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded MG MAGNESIUM ION × 4 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.50 Å R-free 0.221
6Y3W Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1 Deposited 2020-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 O85 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), 0.19 M CaCl2, 25% (v/v) PEG 400 and 5% (v/v) glycerol
Resolution 1.34 Å R-free 0.187
6Y40 14-3-3 Sigma in complex with phosphorylated PLN peptide Deposited 2020-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.75 Å R-free 0.207
6Y44 14-3-3 Sigma in complex with phosphorylated SOS1 peptide Deposited 2020-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 8 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.71 Å R-free 0.202
6Y58 Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (LBD) phosphopeptide Deposited 2020-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), 0.19 M CaCl2, 27% (v/v) PEG 400 and 5% (v/v) glycerol
Resolution 1.90 Å R-free 0.209
6Y7T Engineered conjugation of lysine-specific molecular tweezers with ExoS derived peptidic inhibitor enhance affinity towards target protein 14-3-3 through ditopic binding Deposited 2020-03-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: TRIMERIC
Chain F 1–248（248 aa）
Chain P 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 3 GOL GLYCEROL × 1 TWZ 2-[4-[2-[hydroxy-[[(1R,5S,9S,16R,20R,24S,28S,35R)-22-phosphonooxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl]oxy]phosphoryl]oxyethyl]triazol-1-yl]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；Bis-Tris Propane 0.2M sodium acetate trihydrate 20% PEG1000 10% Glycerol pH 7 Grew at 4 degree Celsius after a few days
Resolution 2.50 Å R-free 0.268
6Y7T Engineered conjugation of lysine-specific molecular tweezers with ExoS derived peptidic inhibitor enhance affinity towards target protein 14-3-3 through ditopic binding Deposited 2020-03-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: TRIMERIC
Chain A 1–248（248 aa）
Chain K 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 2 GOL GLYCEROL × 1 TWZ 2-[4-[2-[hydroxy-[[(1R,5S,9S,16R,20R,24S,28S,35R)-22-phosphonooxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl]oxy]phosphoryl]oxyethyl]triazol-1-yl]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；Bis-Tris Propane 0.2M sodium acetate trihydrate 20% PEG1000 10% Glycerol pH 7 Grew at 4 degree Celsius after a few days
Resolution 2.50 Å R-free 0.268
6Y7T Engineered conjugation of lysine-specific molecular tweezers with ExoS derived peptidic inhibitor enhance affinity towards target protein 14-3-3 through ditopic binding Deposited 2020-03-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: DIMERIC
Chain A 1–248（248 aa）
Chain K 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；Bis-Tris Propane 0.2M sodium acetate trihydrate 20% PEG1000 10% Glycerol pH 7 Grew at 4 degree Celsius after a few days
Resolution 2.50 Å R-free 0.268
6Y8A 14-3-3 Sigma in complex with phosphorylated camkk2{pS511} peptide Deposited 2020-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；28% PEG400, 5% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.50 Å R-free 0.201
6Y8B 14-3-3 Sigma in complex with phosphorylated caspase{pS139} peptide Deposited 2020-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；28% PEG400, 5% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.54 Å R-free 0.212
6Y8D 14-3-3 Sigma in complex with phosphorylated caspase{pS164} peptide Deposited 2020-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；28% PEG400, 5% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.51 Å R-free 0.197
6Y8E 14-3-3 Sigma in complex with phosphorylated MLF1 peptide Deposited 2020-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；28% PEG400, 5% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 1.42 Å R-free 0.201
6YE9 Small-molecule inhibitor of 14-3-3 protein-protein interactions Deposited 2020-03-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 OO8 [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES Na (pH 7.1), 27% (v/v) PEG 400, 0.19 M CaCL2, 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.219
6YIA 14-3-3 sigma in complex with SMAD2 pS465 peptide Deposited 2020-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 10 GOL GLYCEROL × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.1 M HEPES pH7.1 0.19 M CaCl2 5% glycerol 28% PEG400
Resolution 1.30 Å R-free 0.181
6YIB 14-3-3 sigma in complex with SMAD3 pS423 peptide Deposited 2020-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 CL CHLORIDE ION × 6 CA CALCIUM ION × 2 GOL GLYCEROL × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.1 M HEPES pH7.5 0.19 M CaCl2 5% glycerol 28% PEG400
Resolution 1.70 Å R-free 0.203
6YIC 14-3-3 sigma in complex with SMAD4 pS403 peptide Deposited 2020-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded GOL GLYCEROL × 2 NA SODIUM ION × 4 MG MAGNESIUM ION × 4 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.1 M HEPES pH7.5 0.19 M CaCl2 5% glycerol 28% PEG400
Resolution 1.60 Å R-free 0.205
6YLU 14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure Deposited 2020-04-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；95 mM Hepes pH 7.1-7.7, 24-29% PEG400, 190 mM CaCl2, Glycerol 5%
Resolution 1.88 Å R-free 0.211
6YOW 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521 Deposited 2020-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) L3Y 4-(methylsulfonyl)benzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.23 Å R-free 0.197
6YOX 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-027 Deposited 2020-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 L3V N-[4-(hydroxymethyl)phenyl]acetamide × 2 CA CALCIUM ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 2.05 Å R-free 0.245
6YOY 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-025 Deposited 2020-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 L3S 5-methyl-2-nitrophenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.234
6YP2 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-011 Deposited 2020-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 P5N 1-(4-methylphenyl)imidazole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.220
6YP3 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-028 Deposited 2020-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 P5Q 1-(4-methylphenyl)-1,2,4-triazole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.215
6YP8 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-033 Deposited 2020-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 P6Z 3-imidazol-1-ylbenzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.228
6YPL 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-037 Deposited 2020-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 P6H (2-methylsulfonylphenyl)methanol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.229
6YPY 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123 Deposited 2020-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) P7E 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.193
6YQ2 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129 Deposited 2020-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) P7T 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.194
6YR5 14-3-3 sigma in complex with hDMX-367 peptide Deposited 2020-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1M Bis-Tris propane pH 7, 0.2 M Sodium citrate, 20% PEG3350
Resolution 2.25 Å R-free 0.222
6YR5 14-3-3 sigma in complex with hDMX-367 peptide Deposited 2020-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–231（231 aa）
Chain D 1–231（231 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1M Bis-Tris propane pH 7, 0.2 M Sodium citrate, 20% PEG3350
Resolution 2.25 Å R-free 0.222
6YR6 14-3-3 sigma in complex with hDM2-186 peptide Deposited 2020-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain E 1–231（231 aa）
Not recorded IOD IODIDE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M Sodium iodide, 0.1M Bis-Tris propane pH7.5, 20% PEG3350
Resolution 1.75 Å R-free 0.224
6YR6 14-3-3 sigma in complex with hDM2-186 peptide Deposited 2020-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–231（231 aa）
Chain G 1–231（231 aa）
Not recorded IOD IODIDE ION × 5 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M Sodium iodide, 0.1M Bis-Tris propane pH7.5, 20% PEG3350
Resolution 1.75 Å R-free 0.224
6YR7 14-3-3 sigma in complex with hDMX-342+367 peptide Deposited 2020-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Not recorded B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；Sodium citrate tribasic dihydrate, PEG3350, Bis-Tris propane pH8
Resolution 2.10 Å R-free 0.246
6ZCJ 14-3-3sigma in complex with SLP76pS376 phosphopeptide crystal structure Deposited 2020-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277.15 K；95 mM Hepes pH 7.1-7.7, 24-29% PEG400, 190 mM CaCl2, Glycerol 5%
Resolution 1.53 Å R-free 0.190
6ZVB 14-3-3 Sigma in complex with phosphorylated Gab2pT391 peptide - 24h incubation Deposited 2020-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 2.51 Å R-free 0.263
6ZVC 14-3-3 Sigma in complex with phosphorylated Gab2pT391 peptide - 48h incubation Deposited 2020-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 2.51 Å R-free 0.229
6ZVD 14-3-3 Sigma in complex with phosphorylated Gab2pT391 peptide - 96h incubation Deposited 2020-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 2.50 Å R-free 0.234
6ZVE 14-3-3 Sigma in complex with phosphorylated Gab2pT391 peptide - 1h incubation Deposited 2020-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
Resolution 2.51 Å R-free 0.269
7AEW 14-3-3 sigma bound to bis-phosphorylated aminopeptidase N (APN, CD13) via canonical and non-canonical binding motifs Deposited 2020-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain AAA 1–231（231 aa）
Not recorded NA SODIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M HEPES pH 7.7 0.19 M CaCl2 5% glycerol 27 % PEG400
Resolution 1.20 Å R-free 0.184
7AOG 14-3-3 sigma in complex with Pin1 binding site pS72 Deposited 2020-10-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.50 Å R-free 0.184
7AXN 14-3-3 sigma in complex with Pin1 binding site pS72 and covalently bound TCF521-026 Deposited 2020-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S6B 3-chloranyl-4-imidazol-1-yl-benzaldehyde × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.182
7AYF 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110 Deposited 2020-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S9E 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.217
7AZ1 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013 Deposited 2020-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SGH 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.15 Å R-free 0.192
7AZ2 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1014 Deposited 2020-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SFW 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.08 Å R-free 0.197
7B13 14-3-3sigma in complex with SHN3pS542 phosphopeptide crystal structure Deposited 2020-11-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277.15 K；95 mM Hepes pH 7.1-7.7, 24-29% PEG400, 190 mM CaCl2, Glycerol 5%
Resolution 1.37 Å R-free 0.170
7B15 14-3-3sigma in complex with SHN3pT869 phosphopeptide crystal structure Deposited 2020-11-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277.15 K；95 mM Hepes pH 7.1-7.7, 24-29% PEG400, 190 mM Cacl2, Glycerol 5%
Resolution 1.59 Å R-free 0.159
7B9M Cys-45-tethered stabilizer 3 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 T4W 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.70 Å R-free 0.213
7B9R Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 2 T4Q 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.15 Å R-free 0.196
7B9T Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 T4Z 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.15 Å R-free 0.194
7BA3 Cys-42-tethered stabilizer 6 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 T5N 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.40 Å R-free 0.204
7BA5 Cys-42-tethered stabilizer 7 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 T5T 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.45 Å R-free 0.201
7BA6 Cys-42-tethered stabilizer 8 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 T5Q 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.40 Å R-free 0.206
7BA7 Cys-42-tethered stabilizer 9 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 T5W 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.45 Å R-free 0.208
7BA8 Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 2 T6H 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.20 Å R-free 0.207
7BA9 Cys-42-tethered stabilizer 11 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 T6N 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.48 Å R-free 0.212
7BAA Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 T5Z 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.10 Å R-free 0.197
7BAB Cys-42-tethered stabilizer 13 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 T6W 2-(2-chloro-4-nitrophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.30 Å R-free 0.201
7BDP 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1017 Deposited 2020-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TJB 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.216
7BDT 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1009 Deposited 2020-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TJ8 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.202
7BDY 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068B Deposited 2020-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TJK 2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.199
7BFW 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068A Deposited 2021-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TKH [4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.243
7BG3 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2046 Deposited 2021-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TKK 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.190
7BGQ 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1019 Deposited 2021-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TL8 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.208
7BGR 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1016 Deposited 2021-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TQK 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.211
7BGV 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1012 Deposited 2021-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TLK 3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.68 Å R-free 0.246
7BGW 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1011 Deposited 2021-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TLQ 4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.90 Å R-free 0.203
7BI3 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-179 Deposited 2021-01-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TQW 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde × 2 GOL GLYCEROL × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.192
7BIQ 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-180 Deposited 2021-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TVB 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.179
7BIW 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187 Deposited 2021-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TW8 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.194
7BIY 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175 Deposited 2021-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 TWE 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.227
7BJB 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044 Deposited 2021-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 TZK 4-(4-methylphenyl)sulfonylmorpholine × 2 GOL GLYCEROL × 2 CA CALCIUM ION × 4 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.211
7BJF 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-069 Deposited 2021-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 TZH 5-methyl-2-nitrophenyl cyclobutanecarboxylate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.198
7BJL 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142 Deposited 2021-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TWQ 3-[(3S)-3-methoxypiperidin-1-yl]-4-nitrobenzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.193
7BJW 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-154 Deposited 2021-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TZW 3-(4-hydroxypiperidin-1-yl)-4-nitrobenzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.192
7BKH 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-153 Deposited 2021-01-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) U1B 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.197
7BM9 Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide Deposited 2021-01-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 25% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 1.80 Å R-free 0.186
7BMC Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide and stabilizing Fusicoccin A Deposited 2021-01-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 MG MAGNESIUM ION × 8 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 25% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 2.00 Å R-free 0.220
7NFW Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide Deposited 2021-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；5 % Glycerol, 27.4% PEG 400, 0.19 M Calciumchloridedihydrate, 0.0678 M HEPES, 0.0272 M HEPES
Resolution 1.19 Å R-free 0.226
7NIF 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011 Deposited 2021-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) P5N 1-(4-methylphenyl)imidazole × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.71 Å R-free 0.239
7NIG 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1008 Deposited 2021-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UFH 2-bromanyl-4-imidazol-1-yl-benzaldehyde × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.90 Å R-free 0.205
7NIX 14-3-3 sigma with AS160 binding site pT642 Deposited 2021-02-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；277 K；40% (v/v) MPD, 100 mM CHES/ Sodium hydroxide pH 9.5
Resolution 1.90 Å R-free 0.204
7NIZ Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065 Deposited 2021-02-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded FSC FUSICOCCIN × 2 UGH WR-1065 × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；5 %Glycerol, 0.19 M Calciumchloridedihydrate, 29% PEG 400, 0.0406 M HEPES pH 7.0, 0.0544 M HEPES pH 7.6
Resolution 1.48 Å R-free 0.239
7NJ6 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1005 Deposited 2021-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UG5 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.59 Å R-free 0.207
7NJ8 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007 Deposited 2021-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) JFS [4-(1H-benzimidazol-1-yl)phenyl]methanol × 2 CA CALCIUM ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.200
7NJ9 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133 Deposited 2021-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UGE 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.191
7NJA 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1006 Deposited 2021-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UG2 [4-(2-phenylimidazol-1-yl)phenyl]methanol × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.265
7NJB 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132 Deposited 2021-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 2 CL CHLORIDE ION × 2 UG8 4-piperidin-1-ylsulfonylbenzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.186
7NK3 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128 Deposited 2021-02-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UGQ 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.193
7NK5 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-124 Deposited 2021-02-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UGN 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.190
7NLA 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-119 Deposited 2021-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 CA CALCIUM ION × 2 UHT ~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.202
7NLE 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-118 Deposited 2021-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 GOL GLYCEROL × 2 UHW 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.227
7NM1 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-126 Deposited 2021-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UHN 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.213
7NM3 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-135 Deposited 2021-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UHQ 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde × 2 GOL GLYCEROL × 4 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.198
7NM9 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-110 Deposited 2021-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S9E 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.70 Å R-free 0.277
7NMA Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide Deposited 2021-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 1.75 Å R-free 0.220
7NMH 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-070 Deposited 2021-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 2 CA CALCIUM ION × 2 UHZ (5-methanoyl-2-nitro-phenyl) methanesulfonate × 2 CL CHLORIDE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.206
7NMW Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 40 Deposited 2021-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UJW 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 1.50 Å R-free 0.180
7NMX Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 12 Deposited 2021-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) K7Q ~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol.
Resolution 2.30 Å R-free 0.227
7NN2 Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 41 Deposited 2021-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) K8W 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 1.80 Å R-free 0.192
7NND Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09 Deposited 2021-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 K7N 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 1.40 Å R-free 0.172
7NNE Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 22 Deposited 2021-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) K92 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 1.96 Å R-free 0.260
7NP2 Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide Deposited 2021-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 1.27 Å R-free 0.181
7NPB Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fragment 09 Deposited 2021-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) K7N 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 1.37 Å R-free 0.179
7NPG Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fragment 22 Deposited 2021-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) K92 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol
Resolution 1.37 Å R-free 0.171
7NQP 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound LvD1009 Deposited 2021-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TJ8 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.24 Å R-free 0.217
7NR7 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-111 Deposited 2021-03-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UON 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde × 2 UOT 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde × 2 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.222
7NRK 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1 Deposited 2021-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UPQ 4-(4-methylimidazol-1-yl)benzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.216
7NRL 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032 Deposited 2021-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UPK 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol × 6 GOL GLYCEROL × 4 PEG DI(HYDROXYETHYL)ETHER × 4 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.225
7NSV 14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046 Deposited 2021-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UQN 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.33 Å R-free 0.213
7NV4 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-188 Deposited 2021-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UST 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.194
7NVI 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-186 Deposited 2021-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) USW 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.195
7NWS 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-185 Deposited 2021-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UT8 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.202
7NXS 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-184 Deposited 2021-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UVK 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.195
7NXT 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-183 Deposited 2021-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UVE 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.195
7NXW 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-182 Deposited 2021-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UVZ 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.199
7NXY 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-181 Deposited 2021-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UVQ 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.205
7NY4 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-130 Deposited 2021-03-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UVN 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.187
7NYE 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-134 Deposited 2021-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UVH 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.197
7NYF 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-131 Deposited 2021-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UVB 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.194
7NYG 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-127 Deposited 2021-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UVT 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.203
7NZ6 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-125 Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UWH 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.213
7NZG 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-122 Deposited 2021-03-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UWQ 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.188
7NZK 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-121 Deposited 2021-03-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UWK 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.195
7NZV 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-120 Deposited 2021-03-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UXN 4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.263
7O07 14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction) Deposited 2021-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；277 K；0.095 M HEPES (pH 7.3), 0.19 M CaCl2, 26% (v/v) PEG 400 and 5% (v/v) glycerol 12 mg/mL 14-3-3sdc; 1:1.2 molar equivalents 14-3-3:peptide
Resolution 1.20 Å R-free 0.196
7O34 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-043 Deposited 2021-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded V0Q [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.206
7O3A 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-046 Deposited 2021-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V0T 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.202
7O3F 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-117 Deposited 2021-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) V0W 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.225
7O3P 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-116 Deposited 2021-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 CA CALCIUM ION × 2 GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 V1K 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.198
7O3Q 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-041 Deposited 2021-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 6 V1Q 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.215
7O3R 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-042 Deposited 2021-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V1E ~{N},~{N},4-trimethylbenzenesulfonamide × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.215
7O3S 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-045 Deposited 2021-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V1H 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 2.00 Å R-free 0.201
7O57 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-157 Deposited 2021-04-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) V2E 3-morpholin-4-yl-4-nitro-benzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.191
7O59 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-192 Deposited 2021-04-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) V2N 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde × 2 V2K 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.20 Å R-free 0.202
7O5A 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-158 Deposited 2021-04-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 V2Q 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.239
7O5C 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-159 Deposited 2021-04-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 V2T 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.227
7O5D 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-160 Deposited 2021-04-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V2W 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.205
7O5F 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-161 Deposited 2021-04-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V32 4-morpholin-4-ylcarbonylbenzaldehyde × 2 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.220
7O5G 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-164 Deposited 2021-04-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V3B 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide × 2 PEG DI(HYDROXYETHYL)ETHER × 4 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.220
7O5O 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-165 Deposited 2021-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V3K 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide × 2 GOL GLYCEROL × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.214
7O5P 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-166 Deposited 2021-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 V3N 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.215
7O5S 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-167 Deposited 2021-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V3Q 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.213
7O5U 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-168 Deposited 2021-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V3T 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.223
7O5X 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-173 Deposited 2021-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V3W 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.219
7O6F 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-178 Deposited 2021-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V4K 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 2.00 Å R-free 0.216
7O6G 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-176 Deposited 2021-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V4H 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.216
7O6I 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-085 Deposited 2021-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 V4B [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.216
7O6J 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-083 Deposited 2021-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) V48 (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.182
7O6K 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-080 Deposited 2021-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) V4N (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.189
7O6M 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-097 Deposited 2021-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) V42 (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.201
7O6O 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-096 Deposited 2021-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) V3Z (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.209
7OB5 Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide Deposited 2021-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH 7.1, 28% PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 1.80 Å R-free 0.171
7OB8 Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide and stabilizer Fusicoccin-A Deposited 2021-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH 7.1, 28%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 1.80 Å R-free 0.199
7OBC Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide Deposited 2021-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 FAR FARNESYL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH 7.7, 24%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 1.90 Å R-free 0.200
7OBD Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide and stabilizer Fusicoccin-A Deposited 2021-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 FAR FARNESYL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH 7.7, 24%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 2.00 Å R-free 0.210
7OBG Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide Deposited 2021-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH 7.3, 25%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 1.80 Å R-free 0.173
7OBH Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide and stabilizer Fusicoccin-A Deposited 2021-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH 7.3, 25%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 2.00 Å R-free 0.180
7OBK Crystal structure of 14-3-3 sigma in complex with PKR phosphopeptide Deposited 2021-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.3, 25%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 1.80 Å R-free 0.183
7OBL Crystal structure of 14-3-3 sigma in complex with PKR phosphopeptide and stabilizer Fusicoccin-A Deposited 2021-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded FSC FUSICOCCIN × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.3, 25%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 1.80 Å R-free 0.239
7OBS Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide Deposited 2021-04-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 2 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.7, 23%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 1.80 Å R-free 0.189
7OBT Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide and stabilizer Fusicoccin-A Deposited 2021-04-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.7, 23%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 2.30 Å R-free 0.246
7OBX Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide Deposited 2021-04-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH 7.3, 25%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 1.80 Å R-free 0.174
7OBY Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide and stabilizer Fusicoccin-A Deposited 2021-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.3, 25%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
Resolution 2.10 Å R-free 0.220
7OPW Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ136 Deposited 2021-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded 0AW ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide × 6 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 BME BETA-MERCAPTOETHANOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M HEPES pH7.5, 0.19 M CaCl2, 5% glycerol, 26% PEG 400.
Resolution 1.81 Å R-free 0.229
7OQ7 Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ162 Deposited 2021-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded 09W ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide × 4 BME BETA-MERCAPTOETHANOL × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH 7.5, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.60 Å R-free 0.198
7OQ8 Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ178 Deposited 2021-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 0B7 ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.5, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.43 Å R-free 0.206
7OQ9 Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136 Deposited 2021-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0AW ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.1, 27%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.197
7OQA Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162 Deposited 2021-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 09W ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.1, 27%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.213
7OQG Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ136 Deposited 2021-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded 0AW ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide × 6 BME BETA-MERCAPTOETHANOL × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2, and 5% Glycerol
Resolution 1.50 Å R-free 0.178
7OQJ Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ162 Deposited 2021-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 09W ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2, and 5% Glycerol
Resolution 1.40 Å R-free 0.201
7OQS Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177 Deposited 2021-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0BS 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH7.5, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.34 Å R-free 0.195
7OQU Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180 Deposited 2021-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0BL (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH7.5, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.40 Å R-free 0.182
7OQW Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ178 Deposited 2021-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0B7 ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.095 M Hepes pH7.5, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.90 Å R-free 0.221
7OR3 Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ136 Deposited 2021-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 0AW ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.7, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.247
7OR5 Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ162 Deposited 2021-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 09W ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.7, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.186
7OR7 Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ178 Deposited 2021-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 0B7 ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.7, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.197
7OR8 Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ136 Deposited 2021-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0AW ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide × 6 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.3, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.189
7ORG Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ162 Deposited 2021-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 09W ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide × 4 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.3, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.202
7ORH Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ178 Deposited 2021-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0B7 ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide × 4 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.3, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.213
7ORS Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ147 Deposited 2021-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 0I2 (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.3, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.180
7ORT Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ176 Deposited 2021-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0HP ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2-(1~{H}-indol-6-yl)ethanamide × 2 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.3, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 2.33 Å R-free 0.228
7PWT Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptor alpha phosphopeptide, stabilised by pyrrolidone derivative 228 Deposited 2021-10-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 2 PJN (5R)-4-benzoyl-3-hydroxy-1-(2-hydroxyphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；1 : 1 (v/v) 0.1 M Tris, pH 7.0, 0.2 magnesium chloride hexahydrate and 10 % v/v PEG 8000
Resolution 2.31 Å R-free 0.254
7PWZ Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptoralpha phosphopeptide, stabilised by Pyrrolidone1 derivative 228 Deposited 2021-10-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 2 8CQ 2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；1 : 1 (v/v) 0.1 M Tris, pH 7.0, 0.2 magnesium chloride hexahydrate and 10 % v/v PEG 8000
Resolution 2.50 Å R-free 0.298
7QIK SARS-CoV-2 Nucleocapsid phosphopeptide 193-200 bound to human 14-3-3 sigma Deposited 2021-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Chain B 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded PEG DI(HYDROXYETHYL)ETHER × 4 GOL GLYCEROL × 2 BR BROMIDE ION × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M NaBr, 100 mM BisTris propane pH 7.5, 20% PEG 3350
Resolution 2.01 Å R-free 0.226
7QIP SARS-CoV-2 Nucleocapsid phosphopeptide 201-210 bound to human 14-3-3 sigma Deposited 2021-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Not recorded CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M AmSO4, 100 mM BisTris pH 5.5, 25% PEG 3350
Resolution 2.65 Å R-free 0.266
7ZMU 14-3-3s binding to non-natural peptide 2d Deposited 2022-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；95 mM HEPES pH 7.1, 0.19 M CaCl2, 5% glycerol and 27% PEG400
Resolution 1.60 Å R-free 0.294
7ZMW 14-3-3s binding to non-natural peptide 2c Deposited 2022-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；95 mM HEPES pH 7.5, 0.19 M CaCl2, 5% glycerol and 28% PEG400
Resolution 1.80 Å R-free 0.221
8A62 Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3 Deposited 2022-06-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 L7L (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.5, 0.19 M CaCl2, 5% glycerol, 24% PEG 400
Resolution 1.60 Å R-free 0.182
8A65 Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 Deposited 2022-06-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 L70 (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.3, 0.19 M CaCl2, 5% glycerol, 25% PEG 400
Resolution 1.60 Å R-free 0.193
8A68 Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3 Deposited 2022-06-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 L7U ~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.5, 0.19 M CaCl2, 5% glycerol, 28% PEG 400
Resolution 1.60 Å R-free 0.179
8A6F Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 Deposited 2022-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 O56 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.5, 0.19 M CaCl2, 26% (v/v) PEG 400 and 5% (v/v) glycerol
Resolution 1.60 Å R-free 0.181
8A6H Small molecule stabilizer (compound 7) for C-RAF and 14-3-3 Deposited 2022-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 L6L 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.7, 0.19 M CaCl2, 24 % (v/v) PEG 400 and 5% (v/v) glycerol)
Resolution 1.60 Å R-free 0.174
8ADM Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer Deposited 2022-07-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded O6C 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.1M carboxylic acids (0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Sodium potassium tartrate tetrahydrate; 0.2M Sodium oxamate), 0.1M buffer system 1 (Imidazole; MES monohydrate) pH 6.5 and 50% precipitant mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350)
Resolution 1.70 Å R-free 0.222
8AFN Small molecule stabilizer (compound 1) for ERalpha and 14-3-3 Deposited 2022-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 O6C 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.1, 0.19 M CaCl2, 5% glycerol, 24% PEG 400
Resolution 1.36 Å R-free 0.185
8AI0 Small molecular stabilizer for ERalpha and 14-3-3sigma (1080268) Deposited 2022-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 M79 2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (28% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.177
8ALR Small molecular stabilizer for ERalpha and 14-3-3 (1080272) Deposited 2022-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 MVU 2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.5), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.171
8ALT Small molecular stabilizer for ERalpha and 14-3-3 (1075311) Deposited 2022-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 MU9 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.158
8ALV Small molecular stabilizer for ERalpha and 14-3-3 (1076403) Deposited 2022-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 MV3 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.5), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.185
8ALW Small molecular stabilizer for ERalpha and 14-3-3 (1075310) Deposited 2022-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 MVO 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.168
8AM7 Small molecular stabilizer for ERalpha and 14-3-3 (1076397) Deposited 2022-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 MRF 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.163
8ANB 14-3-3 sigma sirtuin-1 phospho-peptide complex Deposited 2022-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：UNP residues 1-231
Not recorded MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M Hepes/NaOH pH 7.5, 0.2 M CaCl2, 26% (v/v) PEG 400, 5% (v/v) glycerol, 1 mM TCEP
Resolution 1.64 Å R-free 0.204
8ANC 14-3-3 sigma sirtuin-3 phospho-peptide complex Deposited 2022-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M Hepes/NaOH pH 7.5, 0.2 M CaCl2, 26% (v/v) PEG 400, 5% (v/v) glycerol, 1 mM TCEP
Resolution 1.11 Å R-free 0.146
8ANF Small molecule stabilizer for ERalpha and 14-3-3 (1074359) Deposited 2022-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 N1R 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3, PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.162
8AOY Small molecule stabilizer for ERalpha and 14-3-3 (1075478) Deposited 2022-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 N0L 2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.153
8APS Small molecular stabilizer for ERalpha and 14-3-3 (1083744) Deposited 2022-08-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NJ3 2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.20 Å R-free 0.151
8AQ1 small molecule stabilizer for ERalpha and 14-3-3 (1083743) Deposited 2022-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NJC (2S,6R)-N-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.181
8AQC Small molecular stabilizer for ERalpha and 14-3-3 (1080294) Deposited 2022-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 2 NIB N-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.172
8AQE Small molecular stabilizer for ERalpha and 14-3-3 (1080295) Deposited 2022-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 NE9 2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.240
8AQZ Small molecular stabilizer for ERalpha and 14-3-3 (1080267) Deposited 2022-08-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NF9 2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.160
8AR4 Small molecular stabilizer for ERalpha and 14-3-3 (1080300) Deposited 2022-08-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NG9 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.219
8AR5 Small molecular stabilizer for ERalpha and 14-3-3 (1080265) Deposited 2022-08-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NJI 2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.162
8ARG Small molecular stabilizer for ERalpha and 14-3-3 (1076405) Deposited 2022-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 ND9 N-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.163
8ARO Small molecular stabilizer for ERalpha and 14-3-3 (1080291) Deposited 2022-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NJR 2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.200
8ARQ Small molecular stabilizer for ERalpha and 14-3-3 (1080266) Deposited 2022-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NKL 2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.175
8ARR Small molecular stabilizer for ERalpha and 14-3-3 (1076394) Deposited 2022-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 NK6 N-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.4), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.35 Å R-free 0.199
8ARW Small molecular stabilizer for ERalpha and 14-3-3 (1076402) Deposited 2022-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NQ9 N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1 ), PEG400 (28% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.179
8ARX Small molecular stabilizer for ERalpha and 14-3-3sigma (1074378) Deposited 2022-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NR6 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.165
8ARY Small molecular stabilizer for ERalpha and 14-3-3 (1080273) Deposited 2022-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NQU 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.45 Å R-free 0.165
8ARZ Small molecule stabilizer for ERalpha and 14-3-3 (1076406) Deposited 2022-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 NQ0 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.170
8AS1 Small molecular stabilizer for ERalpha and 14-3-3 (1076398) Deposited 2022-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 NQL 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.192
8AT9 Small molecule stabilizer for ERalpha and 14-3-3 (1080269) Deposited 2022-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 2 NUO 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.178
8ATP Small molecule stabilizer (1075481) for ERalpha and 14-3-3 Deposited 2022-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 O0O 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), 26% (v/v) PEG400, 0.19 CaCl2, 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.155
8ATR Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075297) Deposited 2022-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 O6L 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.70 Å R-free 0.211
8ATS Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075306) Deposited 2022-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 O5I 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.171
8AU2 Small molecular stabilizer for ERalpha and 14-3-3 (1080293) Deposited 2022-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 O3O 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.202
8AUS Small molecular stabilizer for ERalpha and 14-3-3 (1080297) Deposited 2022-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 O3F 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.216
8AUY Small molecule stabilizer for ERalpha and 14-3-3 (1080298) Deposited 2022-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 O2X ~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24 (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.227
8AV0 small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3 Deposited 2022-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 O6C 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.180
8AV3 Small molecular stabilizer for ERalpha and 14-3-3 (1075299) Deposited 2022-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 O3T 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.195
8AV4 Small molecular stabilizer for ERalpha and 14-3-3 (1075305) Deposited 2022-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 O49 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.5), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.199
8AV7 Small molecular stabilizer for ERalpha and 14-3-3 (1074202 - non covalent) Deposited 2022-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–232（232 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 O4I 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.171
8AV8 Small molecular stabilizer for ERalpha and 14-3-3 (1075300) Deposited 2022-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 O4R 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.248
8AWG small molecule stabilizer for ERalpha and 14-3-3 (1074202) Deposited 2022-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 O4I 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.185
8AXE Small molecule stabilizer for ERalpha and 14-3-3 (1074210) Deposited 2022-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 ODC 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.217
8AXU Small molecule stabilizer for ERalpha and 14-3-3 (1075297) Deposited 2022-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 O6L 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (28% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.170
8AZE Small molecule stabilizer for ERalpha and 14-3-3 (1075306) Deposited 2022-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 O5I 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；35% (v/v) 2-Ethoxyethanol, 100 mM Imidazole/ Hydrochloric acid pH 8.0, 50 mM Calcium acetate
Resolution 1.60 Å R-free 0.201
8B2I Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 4 Deposited 2022-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 OQ9 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.5, 0.19 M CaCl2, 26% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.178
8B2K Ternary structure of 14-3-3s, RND3 phosphopeptide and dual-reactive compound 10 Deposited 2022-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 OQ3 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 26% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.179
8B39 Small molecular stabilizer for ERalpha and 14-3-3 (1080299) Deposited 2022-09-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 OT0 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.160
8B4Q Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 5 Deposited 2022-09-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 OYI 3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.175
8B5P Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 10 Deposited 2022-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 OQ3 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.185
8BFC Binary structure of 14-3-3s and RND3 phosphopeptide Deposited 2022-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.172
8BI7 Binary structure of 14-3-3s and PKR phosphopeptide Deposited 2022-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.188
8BJG Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 8 Deposited 2022-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 8 CL CHLORIDE ION × 2 QL0 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.175
8BJN Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 6 Deposited 2022-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 QL9 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.175
8BM5 Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 7 Deposited 2022-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Mutation：C38N MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 QQ0 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.186
8BTQ Small molecule stabilizer for 14-3-3/ChREBP (Cmd1-soaking) Deposited 2022-11-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 OQE [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH = 7.5 27% PEG400 0.19 M CaCl2 5% glycerol
Resolution 1.60 Å R-free 0.199
8BWE Small molecule stabilizer for 14-3-3/ChREBP (Cmd 43) Deposited 2022-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 UH9 [2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1 ), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 2.00 Å R-free 0.262
8BWH Small molecule stabilizer for 14-3-3/ChREBP (Cmd 42) Deposited 2022-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 XSL [2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 2.10 Å R-free 0.264
8BWJ fragment-linked stabilizer for ERa - 14-3-3 interaction (1074386) Deposited 2022-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RYR ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.187
8BWX Fragment-linked stabilizer for 14-3-3 and ERa (1075298) Deposited 2022-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RZT 4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.187
8BWZ fragment-linked stabilizer for ERa - 14-3-3 interaction (1074393) Deposited 2022-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S3I ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.198
8BX0 fragment-linked stabilizer for ERa - 14-3-3 interaction (1074388) Deposited 2022-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S2U ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.196
8BX3 fragment-linked stabilizer for ERa - 14-3-3 interaction (1074372) Deposited 2022-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 RZL 2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.20 Å R-free 0.189
8BX4 fragment-linked stabilizer for ERa - 14-3-3 interaction (1074392) Deposited 2022-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded RZC 2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.192
8BXI fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361) Deposited 2022-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 S0O ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.20 Å R-free 0.187
8BXM fragment-linked stabilizer for ERa - 14-3-3 interaction (1074397) Deposited 2022-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 S0U ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenylazanyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.188
8BXN fragment-linked stabilizer for ERa - 14-3-3 interaction (1074399) Deposited 2022-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S1R ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.2), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.188
8BXO fragment-linked stabilizer for ERa - 14-3-3 interaction (1075287) Deposited 2022-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S1I ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.191
8BXQ fragment-linked stabilizer for ERa - 14-3-3 interaction (1075296) Deposited 2022-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S3U ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.182
8BXS Fragment-linked stabilizer for ERa - 14-3-3 interaction (1075293) Deposited 2022-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S2E ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)oxane-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.191
8BY9 fragment-linked stabilizer for ERa - 14-3-3 interaction (1075292) Deposited 2022-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S86 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.191
8BYB fragment-linked stabilizer for ERa - 14-3-3 interaction (1074398) Deposited 2022-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S8O ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.4), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.185
8BYC fragment-linked stabilizer for ERa - 14-3-3 interaction (1075316) Deposited 2022-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 S7R ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.194
8BYD fragment-linked stabilizer for ERa - 14-3-3 interactions (1075288) Deposited 2022-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S7I ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.195
8BYE fragment-linked stabilizer for ERa - 14-3-3 interaction (1075313) Deposited 2022-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded RY0 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (28% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.207
8BYF fragment-linked stabilizer for ERa - 14-3-3 interaction (1047455) Deposited 2022-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S6X ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.65 Å R-free 0.202
8BYG fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648) Deposited 2022-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded S6O ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.70 Å R-free 0.220
8BYO fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361) Deposited 2023-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 U0L ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.20 Å R-free 0.171
8BYY fragment-linked stabilizer for ERa - 14-3-3 interaction (1074395) Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded SE3 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.186
8BYZ fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210) Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 SD7 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.182
8BZ0 single soak stabilizer for ERa - 14-3-3 interaction (AZ275) Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SDM 4-ethoxy-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.20 Å R-free 0.201
8BZ9 single soak stabilizer for ERa - 14-3-3 interaction (AZ354) Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 LF5 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1 ), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.30 Å R-free 0.195
8BZA single soak stabilizer for ERa - 14-3-3 interaction (AZ555) Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 L1T 4-methyl-5-phenyl-thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.25 Å R-free 0.196
8BZB co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275) Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 GEH 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 SDM 4-ethoxy-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.70 Å R-free 0.193
8BZC co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ244) Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 GEH 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 SG0 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.10 Å R-free 0.177
8BZD deAc-FC stabilizer of 14-3-3 and ERalpha Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SIT De-acetylated Fusicoccin × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.203
8BZE FC-J stabilizer for ERa and 14-3-3 Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SIY (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.43 Å R-free 0.190
8BZF FC-J acetonide stabilizer of 14-3-3 and ERalpha Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SJ4 Fusicoccin J-acetonide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.53 Å R-free 0.214
8BZG FC-31 stabilizer of 14-3-3 and ERalpha Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SJC Fusicoccin 31 × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.49 Å R-free 0.189
8BZH FC-NAc stabilizer of 14-3-3 and ERalpha Deposited 2022-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 EZ5 ~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.46 Å R-free 0.189
8BZT FC-NAg stabilizer of 14-3-3 and ERalpha Deposited 2022-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SKR ~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,8,9-tris(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.65 Å R-free 0.208
8BZW Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210) Deposited 2022-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SSX 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide × 2 GEH 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1 ), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.10 Å R-free 0.193
8C04 Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354) Deposited 2022-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 GEH 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 LF5 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.10 Å R-free 0.197
8C0K fragment-linked stabilizer for ERa - 14-3-3 interaction (1075302) Deposited 2022-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SOI ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.184
8C0L FC-THF stabilizer of 14-3-3 and ERalpha Deposited 2022-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded FC7 Fusicoccin A-THF × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.208
8C1Y Small molecule stabilizer for 14-3-3/ChREBP (Cmd 30) Deposited 2022-12-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded U0U [2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH = 7.5 27% PEG400 0.19 M CaCl2 5% glycerol
Resolution 1.80 Å R-free 0.223
8C28 14-3-3 in complex with PyrinpS208pS242 Deposited 2022-12-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain AAA 1–231（231 aa）
Chain BBB 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.19 M CaCl 2 , 5% glycerol, 26% PEG 400, 0.095 M HEPES, pH 7.5
Resolution 1.60 Å R-free 0.213
8C2D 14-3-3 in complex with Pyrin pS208 Deposited 2022-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain AAA 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.19 M CaCl2, 5% glycerol, 26% PEG 400, 0.095 M HEPES, pH 7.5
Resolution 2.15 Å R-free 0.210
8C2E Structure of 14-3-3 sigma delta C with electrophilic peptide 4IEA-5 Deposited 2022-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded TJI ethyl 3-bromanyl-2-methyl-propanoate × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.7, 24% (v/v) PEG400 0.19 M CaCl2, 5% (v/v) Glycerol
Resolution 2.20 Å R-free 0.221
8C2F Structure of 14-3-3 sigma delta C with electrophilic peptide 3MHR-5 Deposited 2022-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded TJI ethyl 3-bromanyl-2-methyl-propanoate × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.1, 28% (v/v) PEG400 0.19 M CaCl2, 5% (v/v) Glycerol
Resolution 2.30 Å R-free 0.267
8C2G 14-3-3 sigma with Pin1 binding site pS72 and covalently bound CV1040 Deposited 2022-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) T85 2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；HEPES, magnesium chloride, calcium chloride, 2-mercaptoethanol, PEG400, glycerol. DMSO
Resolution 1.60 Å R-free 0.186
8C2Y 14-3-3 in complex with Pyrinp pS242 Deposited 2022-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
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；277 K；0.19 M CaCl 2 , 5% glycerol, 26% PEG 400, 0.095 M HEPES, pH 7.5
Resolution 1.46 Å R-free 0.178
8C30 Crystal structure of 14-3-3 in complex with PyrinpS242 and a protein/peptide interface fragment Deposited 2022-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain AAA 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 463 N-[3-(aminomethyl)phenyl]acetamide × 2 PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.19 M CaCl 2 , 5% glycerol, 26% PEG 400, 0.095 M HEPES, pH 7.5
Resolution 1.40 Å R-free 0.204
8C3C 14-3-3 sigma with Pin1 binding site pS72 and bound Fusicoccin A Deposited 2022-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；HEPES, magnesium chloride, calcium chloride, 2-mercaptoethanol, PEG400, glycerol, DMSO
Resolution 1.60 Å R-free 0.200
8C3Z 14-3-3sigma bound to strep-tagged PKA-responsive ERa phosphopeptide Deposited 2022-12-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.186
8C40 14-3-3sigma bound to PKA-responsive ERa phosphopeptide Deposited 2022-12-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.184
8C42 Ternary structure of 14-3-3sigma, PKA-responsive ERa phosphopeptide and Fusicoccin-A Deposited 2022-12-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SIT De-acetylated Fusicoccin × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.196
8C43 Ternary structure of 14-3-3sigma, strep-tagged PKA-responsive ERa phosphopeptide, and Fusicoccin-A. Deposited 2022-12-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 SIT De-acetylated Fusicoccin × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.192
8C4F Small molecule amidine soak in 14-3-3/ERa (AZ037) Deposited 2023-01-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 TG9 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.201
8C4G Small molecule amidine soak in 14-3-3/ERa (AZ132) Deposited 2023-01-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 6 KM8 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.46 Å R-free 0.220
8P0D Human 14-3-3 sigma in complex with human MDM2 peptide Deposited 2023-05-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；1 M HEPES pH 7.4 to 7.6, 0.19 M CaCl2, 30 to 31 % PEG 400, 5 % glycerol
Resolution 1.31 Å R-free 0.204
8Q4L GBP1 bound by 14-3-3sigma Deposited 2023-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–231（231 aa）
Chain C 1–231（231 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8；150 mM KCl, 20 mM HEPES-KOH pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.12 Å
8Q55 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 21 (1075354) Deposited 2023-08-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 JOL 2-chloranyl-~{N}-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.168
8Q5C Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 12 (1075475) Deposited 2023-08-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 8 W5T ~{N}-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.00 Å R-free 0.262
8QS2 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 29 (1076409) Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 4 MG MAGNESIUM ION × 8 WPW 2-chloranyl-~{N}-[[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.00 Å R-free 0.230
8QS3 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 23 (1083848) Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain M 1–231（231 aa）
Not recorded CL CHLORIDE ION × 4 MG MAGNESIUM ION × 10 WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.60 Å R-free 0.199
8QS4 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 22 (1083853) Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 4 MG MAGNESIUM ION × 8 WPN ~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.00 Å R-free 0.243
8QS5 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 21 (1075354) Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 4 MG MAGNESIUM ION × 6 WQ5 2-chloranyl-~{N}-[[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.00 Å R-free 0.230
8QS6 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 21 (1075354) Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 8 WQ0 ~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.246
8QS7 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 70 (1084352) Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 WQX 1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.236
8QS8 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 78 (1084378) Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.251
8QS9 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 83 (1084383) Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 WQE 1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.00 Å R-free 0.224
8QSA Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 86 (1084384) Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 WQ9 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.242
8QSB Ternary structure of 14-3-3s, ARAF phosphopeptide (pS214) and compound 86 (1124384). Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain J 1–231（231 aa）
Not recorded WQ9 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone × 2 MG MAGNESIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.90 Å R-free 0.219
8QSC Ternary structure of 14-3-3s, ARAF phosphopeptide (pS214) and compound 22 (1083853). Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain J 1–231（231 aa）
Not recorded WPN ~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 MG MAGNESIUM ION × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.204
8QSD Ternary structure of 14-3-3s, BRAF phosphopeptide (pS365) and compound 79 (1124379). Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain J 1–231（231 aa）
Not recorded WQT 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone × 2 MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.00 Å R-free 0.235
8QSE Ternary structure of 14-3-3s, BRAF phosphopeptide (pS365) and compound 23 (1083848). Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain J 1–231（231 aa）
Not recorded WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 MG MAGNESIUM ION × 7 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.205
8QSF Ternary structure of 14-3-3s, BRAF phosphopeptide (pS365) and compound 22 (1083853). Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain J 1–231（231 aa）
Not recorded WPN ~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 MG MAGNESIUM ION × 7 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.203
8QSG Ternary structure of 14-3-3s, BRAF phosphopeptide (pS365) and compound 86 (1124384). Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain J 1–231（231 aa）
Not recorded WQ9 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone × 2 MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.00 Å R-free 0.217
8QSH Ternary structure of 14-3-3s, ARAF phosphopeptide (pS214) and compound 23 (1083848). Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain J 1–231（231 aa）
Not recorded WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 MG MAGNESIUM ION × 7 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.215
8R0Z 14-3-3 sigma in complex with TAZ peptide and stabilizing fragment TCF199 Deposited 2023-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Not recorded XJF [(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methyl N-phenylcarbamate × 2 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095M HEPES pH 7.5, 26%PEG 400, 0.19M CaCL, 5%Glycerol
Resolution 1.20 Å R-free 0.176
8RRK 14-3-3 sigma complexed with an optimized phosphopeptide Deposited 2024-01-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Chain B 1–248（248 aa）
Not recorded CL CHLORIDE ION × 1 GOL GLYCEROL × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；25% PEG 3350, 100mM Bis-Tris pH 6.5, 200mM LiSO4
Resolution 1.93 Å R-free 0.218
8RRL 14-3-3 sigma complexed with a phosphopeptide optimized for a Fusicoccin-mediated stabilization of the complex Deposited 2024-01-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Chain B 1–248（248 aa）
Not recorded BCT BICARBONATE ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；100mM HEPES pH 7.5, 25% PEG 3350
Resolution 2.15 Å R-free 0.227
8RRM tripartite complex between 14-3-3 sigma, Fusicoccin-A, and a phosphopeptide optimized for a Fusicoccin-mediated stabilization of the complex Deposited 2024-01-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–248（248 aa）
Chain B 1–248（248 aa）
Not recorded FSC FUSICOCCIN × 2 CL CHLORIDE ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；20% PEG 6000, 100mM Tris pH 8.5
Resolution 2.00 Å R-free 0.219
8S42 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 80 (1124898) Deposited 2024-02-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 A1H5F 2-chloranyl-1-[8-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.70 Å R-free 0.194
8VSL Binary structure of 14-3-3 sigma and ARAF phosphopeptide (pS214) Deposited 2024-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：residues 1-231
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；PEG400, HEPES, CaCl2, glycerol
Resolution 1.42 Å R-free 0.208
8VSM Ternary structure of 14-3-3 sigma, ARAF phosphopeptide (pS214) and compound 78 (1124378) Deposited 2024-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：residues 1-231
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；PEG4000, HEPES, CaCl2, glycerol
Resolution 1.50 Å R-free 0.213
8VSN Ternary structure of 14-3-3 sigma, ARAF phosphopeptide (pS214) and compound 79 (1124379) Deposited 2024-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa） Fragment：residues 1-231
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 WQT 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；PEG4000, HEPES, CaCl2, glycerol
Resolution 1.91 Å R-free 0.272
8VSO Ternary structure of 14-3-3 sigma, BRAF phosphopeptide (pS365) and compound 78 (1124378) Deposited 2024-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–231（231 aa） Fragment：residues 1-231
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；PEG4000, HEPES, CaCl2, glycerol
Resolution 1.50 Å R-free 0.189
9AXA CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628 Deposited 2024-03-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain E 1–248（248 aa）
Chain F 1–248（248 aa）
Not recorded A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.36 Å
9EW1 Ternary structure of 14-3-3s, CRAF phosphopeptide (pS259) and compound 79 (1124379). Deposited 2024-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 WQT 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.168
9EW3 Ternary structure of 14-3-3s, C-RAF phosphopeptide 12-mer (pS259) and compound 78 (1084378) Deposited 2024-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.229
9EW4 Ternary structure of 14-3-3s, C-RAF phosphopeptide 12mer (pS259) and compound 86 (1124384) Deposited 2024-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 8 WQ9 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.60 Å R-free 0.211
9EW5 Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) 12mer and compound 23 (1083848) Deposited 2024-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain D 1–231（231 aa）
Not recorded WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 CA CALCIUM ION × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.50 Å R-free 0.216
9EW6 Binary structure of 14-3-3s and BRAF phosphopeptide (pS365) Deposited 2024-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.65 Å R-free 0.221
9EW7 Binary structure of 14-3-3s and CRAF phosphopeptide (pS259) Deposited 2024-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.193
9F35 Co-crystal structure of 14-3-3sigma in complex with B-Raf pS365 phosphopeptide Deposited 2024-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
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 7.5；277.15 K；0.1M Hepes pH 7.5, 28% PEG400, 0.2M Cacl2, 5% Glycerol
Resolution 2.30 Å R-free 0.298
9FS4 Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer LD12 Deposited 2024-06-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TJ8 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked
Resolution 1.60 Å R-free 0.198
9FVG Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer AO184 Deposited 2024-06-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1IF3 1-(3-bromanyl-4-methyl-phenyl)-2-(4-ethylphenyl)imidazole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked
Resolution 1.45 Å R-free 0.193
9FVH Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer JS17 Deposited 2024-06-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1IF5 2-bromanyl-4-[2-(2-methylphenyl)imidazol-1-yl]benzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked
Resolution 1.45 Å R-free 0.176
9FVI Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer JS18 Deposited 2024-06-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1IF4 1-(3-bromanyl-4-methyl-phenyl)-2-(3-methylphenyl)imidazole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked
Resolution 1.55 Å R-free 0.211
9FVN Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer NZ4 Deposited 2024-06-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1IGH 2-[4-[1-(3-bromanyl-4-methyl-phenyl)benzimidazol-2-yl]phenoxy]ethanol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked
Resolution 1.50 Å R-free 0.209
9FVP Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer JS24 Deposited 2024-06-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1IGF 1-(3-bromanyl-4-methyl-phenyl)-2-(4-methylphenyl)imidazole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked
Resolution 1.58 Å R-free 0.205
9GFA Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer LD33 Deposited 2024-08-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1IKN 3-(3-bromanyl-4-methyl-phenyl)-2-pyridin-3-yl-1,2-dihydrobenzimidazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；10mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked
Resolution 1.60 Å R-free 0.196
9GG7 Crystal structure of 14-3-3 sigma dC - C38N in complex with Tau pS324 peptide and covalent stabilizer 187 Deposited 2024-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Not recorded TW8 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Cocrystalization of 12 mg/ml protein, 2eq peptide and 1.8mM compound in 20 mM Sodium HEPES pH 7.5, 2 mM MgCl2, and 1.5 mM TCEP. Crystallization buffer: 0.19 M Calcium chloride dihydrate, 0.095 M Sodium HEPES pH 7.1, 5% glycerol, and28% PEG 400, mixed 1:1 with cocrystal mix
Resolution 1.24 Å R-free 0.242
9GG8 Crystal structure of 14-3-3 sigma dC - C38N in complex with Tau pS214 peptide and covalent stabilizer 187 Deposited 2024-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded TW8 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Cocrystalization of 12 mg/ml protein, 2eq peptide and 1.8mM compound in 20 mM Sodium HEPES pH 7.5, 2 mM MgCl2, and 1.5 mM TCEP. Crystallization buffer: 0.19 M Calcium chloride dihydrate, 0.095 M Sodium HEPES pH 7.1, 5% glycerol, and28% PEG 400, mixed 1:1 with cocrystal mix
Resolution 1.10 Å R-free 0.203
9GGA Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer FM089 Deposited 2024-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1IKS 2-bromanyl-4-[[(3~{R})-3-oxidanyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked
Resolution 2.24 Å R-free 0.199
9I6S 14-3-3sigma binding to the ERa peptide and compound 28 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0P 2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]-6-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.182
9I6T 14-3-3sigma binding to the ERa peptide and compound 32 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0Q 2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.154
9I6U 14-3-3sigma binding to the ERa peptide and compound 33 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0R 2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]cyclohexyl]ethanamide × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.161
9I6V 14-3-3sigma binding to the ERa peptide and compound 40 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0S 2-chloranyl-~{N}-[4-[3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.158
9I6W 14-3-3sigma binding to the ERa peptide and compound 41 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0T 2-chloranyl-~{N}-[4-[3-[(2,6-dimethylphenyl)amino]-6-methyl-imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.172
9I6X 14-3-3sigma binding to the ERa peptide and compound 42 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0U 2-chloranyl-~{N}-[4-[6-chloranyl-3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.163
9I6Y 14-3-3sigma binding to the ERa peptide and compound 1 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0V 2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 10 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.50 Å R-free 0.179
9I6Z 14-3-3sigma binding to the ERa peptide and compound 2 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0W 2-chloranyl-~{N}-[4-[3-[(2-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 12 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.157
9I70 14-3-3sigma binding to the ERa peptide and compound 17 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 8 A1I0X 2-chloranyl-~{N}-[4-[3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.147
9I71 14-3-3sigma binding to the ERa peptide and compound 19 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0Y 2-chloranyl-~{N}-[4-[3-[(2-methoxy-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.35 Å R-free 0.162
9I72 14-3-3sigma binding to the ERa peptide and compound 10 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I0Z 2-chloranyl-~{N}-[4-(3-phenylazanylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamide × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.35 Å R-free 0.164
9I73 14-3-3sigma binding to the ERa peptide and compound 20 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I00 2-chloranyl-~{N}-[4-[3-[(2-fluoranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.154
9I74 14-3-3sigma binding to the ERa peptide and compound 21 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded A1I01 2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.50 Å R-free 0.160
9I75 14-3-3sigma binding to the ERa peptide and compound 25 Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded MG MAGNESIUM ION × 4 A1I02 2-chloranyl-~{N}-[4-[3-[(2,6-dimethyl-4-oxidanyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.151
9JGL Crystal Structure of 14-3-3 sigma in complex with a phosphoserine peptide from MEX3B Deposited 2024-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–231（231 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ADA, PEG 4000
Resolution 2.30 Å R-free 0.237
9JGL Crystal Structure of 14-3-3 sigma in complex with a phosphoserine peptide from MEX3B Deposited 2024-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–231（231 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ADA, PEG 4000
Resolution 2.30 Å R-free 0.237
9JGL Crystal Structure of 14-3-3 sigma in complex with a phosphoserine peptide from MEX3B Deposited 2024-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ADA, PEG 4000
Resolution 2.30 Å R-free 0.237
9QNG FOXO3 pS413 phosphopeptide binding to 14-3-3sigma Deposited 2025-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 CA CALCIUM ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.35 Å R-free 0.189
9QNH Myc pS294 phosphopeptide binding to 14-3-3sigma Deposited 2025-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 CA CALCIUM ION × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.167
9QNI NOTCH4 phosphopeptide binding to 14-3-3sigma Deposited 2025-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 CA CALCIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.207
9QNJ Tau pS198 phosphopeptide binding to 14-3-3sigma Deposited 2025-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 CA CALCIUM ION × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.166
9QNK Tau pT245 phosphopeptide binding to 14-3-3sigma Deposited 2025-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.60 Å R-free 0.196
9QNL BAD pS118 phosphopeptide binding to 14-3-3sigma Deposited 2025-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 10 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.195
9S2I Ternary structure of 14-3-3, CRAF R256S NS mutant phosphopeptide (pS259), and compound 78 (1124378) Deposited 2025-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.67 Å R-free 0.201
9S2J Ternary structure of 14-3-3s, CRAF S257L NS mutant phosphopeptide (pS259) and compound 78 (1084378) Deposited 2025-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.50 Å R-free 0.203
9S2K Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 78 (1124378) Deposited 2025-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.15 Å R-free 0.233
9S2L Ternary structure of 14-3-3s, CRAF R256S NS mutant phosphopeptide (pS259), and compound 23 (1083848) Deposited 2025-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–231（231 aa）
Chain K 1–231（231 aa）
Not recorded WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.85 Å R-free 0.223
9S2M Ternary structure of 14-3-3s, CRAF S257L NS mutant phosphopeptide (pS259), and compound 23 (1083848) Deposited 2025-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–231（231 aa）
Chain K 1–231（231 aa）
Not recorded WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 MG MAGNESIUM ION × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.00 Å R-free 0.227
9S2N Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 23 (1083848) Deposited 2025-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–231（231 aa）
Chain K 1–231（231 aa）
Not recorded WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2 MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.85 Å R-free 0.239
9S2O Ternary structure of 14-3-3s, CRAF R256S NS mutant phosphopeptide (pS259), and compound 22 (1083853) Deposited 2025-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–231（231 aa）
Chain K 1–231（231 aa）
Not recorded WPN ~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.80 Å R-free 0.213
9S2P Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 22 (1083853) Deposited 2025-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 WPN ~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.50 Å R-free 0.197
9SA9 14-3-3sigma protein binding to macrocycle 2 Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain L 1–231（231 aa）
Not recorded CA CALCIUM ION × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.60 Å R-free 0.201
9SAB 14-3-3sigma protein binding to macrocycle 4 Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–231（231 aa）
Chain B 1–231（231 aa）
Not recorded CL CHLORIDE ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.50 Å R-free 0.202
9SAC 14-3-3sigma protein binding to the ChREBP peptide and macrocycle 3 Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–231（231 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.50 Å R-free 0.361
9SAE 14-3-3sigma protein binding to ChREBP peptide and macrocycle 4 Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–231（231 aa）
Not recorded CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 2.30 Å R-free 0.285

523 other PDB entries and 542 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name 1433S_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 4–234； UniProt 1–231 Author chain B； PDBConstruct 4–234； UniProt 1–231 Author chain C； PDBConstruct 4–234； UniProt 1–231 Author chain D； PDBConstruct 4–234； UniProt 1–231

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 5okf

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5okf
Download Download
▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id5okf
Deposition date deposition_date2017-07-25
Structure title titleCH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with self-bound phosphopeptides
Keywords keywords14-3-3 proteins, Protein chimera, phosphopeptide-binding, SIGNALING PROTEIN; SIGNALING PROTEIN
Experimental Method methodX-RAY DIFFRACTION
▼

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier31.90 Å
Radius of gyration Rg (electron density) rg_electron31.22 Å
Forward intensity I(0) i0193453000.00
Molecular weight molecular_weight105880.0 kDa
Excluded volume excluded_volume130000 ų
Envelope volume envelope_volume168820 ų
Hydration-shell volume shell_volume45033 ų
Envelope diameter envelope_diameter107.2 Å
Shell Rg shell_rg38.59 Å
Envelope Rg envelope_rg30.86 Å
Shape Rg shape_rg31.24 Å
Total Rg total_rg31.74 Å
Total atoms total_atoms14348
Residues n_residues912
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
▼

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax101.4 Å
Rg (real space) rg_real31.74 Å
Rg uncertainty (real space) rg_real_error0.64 Å
I(0) (real space) i0_real1.9350e+08
I(0) uncertainty (real space) i0_real_error2.8620e+06
Rg (reciprocal space) rg_reciprocal31.81 Å
I(0) (reciprocal space) i0_reciprocal193500000.0000
Solution quality estimate total_estimate0.8905
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary42.6 Å
Skewness Skewness skewness0.193
Kurtosis Kurtosis kurtosis-0.335
Angular range angular_range— – 0.2500 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha26650000.0000
Real-space data points n_real_points51
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.889; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.917
▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (3)

▼

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id5okfA00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology190 — Delta-Endotoxin; domain 1
Homologous superfamily homologous superfamily20 — 14-3-3 domain
Domain ID domain_id5okfB00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology190 — Delta-Endotoxin; domain 1
Homologous superfamily homologous superfamily20 — 14-3-3 domain
Domain ID domain_id5okfC00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology190 — Delta-Endotoxin; domain 1
Homologous superfamily homologous superfamily20 — 14-3-3 domain
Domain ID domain_id5okfD00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology190 — Delta-Endotoxin; domain 1
Homologous superfamily homologous superfamily20 — 14-3-3 domain
▶

8. Citations (1)

▶

9. Files and Curves (10)