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6f08

14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1)

Method: X-RAY DIFFRACTION Dmax: 107.4 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

14-3-3 protein zeta/delta

Homo sapiens

UniProt P63104

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain A； UniProt 1–230 Chain B； UniProt 1–230 Not recorded Son of sevenless homolog 1 × 2 （Q07889） 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.2, 36% (v/v) PEG 300 Resolution 1.90 Å R-free 0.267
2 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain I； UniProt 1–230 Chain J； UniProt 1–230 Not recorded Son of sevenless homolog 1 × 2 （Q07889） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.2, 36% (v/v) PEG 300 Resolution 1.90 Å R-free 0.267

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 6F08 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1IB1 CRYSTAL STRUCTURE OF THE 14-3-3 ZETA:SEROTONIN N-ACETYLTRANSFERASE COMPLEX Deposited 2001-03-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded COT COA-S-ACETYL TRYPTAMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PEG 4000, magnesium chloride, lithium sulfate, DTT, EDTA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.228
1IB1 CRYSTAL STRUCTURE OF THE 14-3-3 ZETA:SEROTONIN N-ACETYLTRANSFERASE COMPLEX Deposited 2001-03-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–245（245 aa）
Chain D 1–245（245 aa）
Not recorded COT COA-S-ACETYL TRYPTAMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PEG 4000, magnesium chloride, lithium sulfate, DTT, EDTA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.228
2C1J Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3 Deposited 2005-09-15 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；0.1 M HEPES PH7.0, 23% ETHYLENE GLYCOL, pH 7.00
Resolution 2.60 Å R-free 0.292
2C1N Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3 Deposited 2005-09-16 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；100MM HEPES PH 7.0, 23% ETHYLENE GLYCOL
Resolution 2.00 Å R-free 0.296
2C1N Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3 Deposited 2005-09-16 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；100MM HEPES PH 7.0, 23% ETHYLENE GLYCOL
Resolution 2.00 Å R-free 0.296
2O02 Phosphorylation independent interactions between 14-3-3 and Exoenzyme S: from structure to pathogenesis Deposited 2006-11-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded BEZ BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；285 K；pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 285K
Resolution 1.50 Å R-free 0.212
2WH0 Recognition of an intrachain tandem 14-3-3 binding site within protein kinase C epsilon Deposited 2009-04-28 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 A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.4；16 MG/ML PROTEIN 9% (W/V) POLYETHYLENE GLYCOL 3350, 25 MM CALCIUM ACETATE, 25 MM SODIUM FLUORIDE, pH 7.4
Resolution 2.25 Å R-free 0.235
2WH0 Recognition of an intrachain tandem 14-3-3 binding site within protein kinase C epsilon Deposited 2009-04-28 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 C 1–245（245 aa）
Chain D 1–245（245 aa）
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.4；16 MG/ML PROTEIN 9% (W/V) POLYETHYLENE GLYCOL 3350, 25 MM CALCIUM ACETATE, 25 MM SODIUM FLUORIDE, pH 7.4
Resolution 2.25 Å R-free 0.235
3CU8 Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome Deposited 2008-04-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded MG MAGNESIUM ION × 2 PPI PROPANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M (Sodium propionate, sodium cacodylate, BIS-TRIS propane), 27% PEG 1500, 2mM DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.259
3NKX Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome Deposited 2010-06-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded PPI PROPANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M (Sodium propionate, sodium cacodylate, BIS-TRIS propane), 27% PEG 1500, 2mM DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.247
3RDH X-ray induced covalent inhibition of 14-3-3 Deposited 2011-04-01 Different construct 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 1–245（245 aa）
Chain D 1–245（245 aa）
Not recorded 3RD 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid × 2 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；25% PEG3350, 100 mM Tris-HCl pH 8.5, 10 mM MgCl2, 1 mM NiCl2, 1% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.39 Å R-free 0.286
3RDH X-ray induced covalent inhibition of 14-3-3 Deposited 2011-04-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–245（245 aa）
Chain C 1–245（245 aa）
Not recorded 3RD 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid × 2 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；25% PEG3350, 100 mM Tris-HCl pH 8.5, 10 mM MgCl2, 1 mM NiCl2, 1% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.39 Å R-free 0.286
3RDH X-ray induced covalent inhibition of 14-3-3 Deposited 2011-04-01 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 A 1–245（245 aa）
Chain B 1–245（245 aa）
Chain C 1–245（245 aa）
Chain D 1–245（245 aa）
Not recorded 3RD 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid × 4 NI NICKEL (II) ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；25% PEG3350, 100 mM Tris-HCl pH 8.5, 10 mM MgCl2, 1 mM NiCl2, 1% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.39 Å R-free 0.286
4BG6 14-3-3 interaction with Rnd3 prenyl-phosphorylation motif Deposited 2013-03-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 3 FAR FARNESYL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；0.17 M SODIUM ACETATE; 0.085 M TRIS, PH 8.5; 25.5% (W/V) PEG4000, 15% (V/V) GLYCEROL
Resolution 2.30 Å R-free 0.273
4FJ3 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide Deposited 2012-06-11 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–230（230 aa） Fragment：UNP residues 1-230
Chain B 1–230（230 aa） Fragment：UNP residues 1-230
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1 M Na-acetate pH 7.0, 0.8 M NaH2PO4 and 1.2 M K2HPO4 , VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.95 Å R-free 0.208
4HKC 14-3-3-zeta in complex with S1011 phosphorylated integrin alpha-4 peptide Deposited 2012-10-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.1M Na HEPES (pH 7.5), 25% PEG 2000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.20 Å R-free 0.239
4IHL Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A Deposited 2012-12-19 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 A 1–230（230 aa） Fragment：UNP residues 1-230
Chain B 1–230（230 aa） Fragment：UNP residues 1-230
Not recorded K POTASSIUM ION × 2 1F5 (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1 M NA-ACETATE PH 7.0, 0.8 M NAH2PO4 AND 1.2 M K2HPO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.20 Å R-free 0.243
4N7G Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS Deposited 2013-10-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa） Fragment：UNP residues 1-230
Not recorded P6G HEXAETHYLENE GLYCOL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277.15 K；0.2 M sodium chloride, 0.1 M sodium acetate, pH 4.5, 40% v/v PEG300, VAPOR DIFFUSION, temperature 277.15K
Resolution 2.25 Å R-free 0.223
4N7Y Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS Deposited 2013-10-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa） Fragment：UNP residues 1-230
Chain B 1–230（230 aa） Fragment：UNP residues 1-230
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277.15 K；0.09 M HEPES sodium, pH 7.5, 1.26 M sodium citrate, 10% v/v glycerol, VAPOR DIFFUSION, temperature 277.15K
Resolution 2.16 Å R-free 0.256
4N84 Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS Deposited 2013-10-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa） Fragment：UNP residues 1-230
Chain B 1–230（230 aa） Fragment：UNP residues 1-230
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；277.15 K；1 M potassium sodium tartrate, 0.1 M sodium chloride, 0.1 M imidazole, pH 8.0, cryoprotectant: 20% glycerol, VAPOR DIFFUSION, temperature 277.15K
Resolution 2.50 Å R-free 0.249
4WRQ Crystal Structure of 14-3-3 zeta with Chibby peptide Deposited 2014-10-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；16-20% PEG 3350, ammonium formate
Resolution 2.41 Å R-free 0.256
4ZDR Crystal structure of 14-3-3[zeta]-LKB1 fusion protein Deposited 2015-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–230（230 aa） Fragment：UNP residues 1-230,UNP residues 333-340
Chain B 1–230（230 aa） Fragment：UNP residues 1-230,UNP residues 333-340
Mutation：T240E Mutation：T240E GOL GLYCEROL × 3 SO4 SULFATE ION × 2 TME PROPANE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；289 K；1.4 M Li2SO4, 0.1 M BIS-TRIS propane
Resolution 2.90 Å R-free 0.245
5D2D Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 Deposited 2015-08-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；HEPES, NaCl, DTT, Li2SO4, Glycine, K2HPO4
Resolution 2.10 Å R-free 0.220
5D3F Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 and stabilizer fusicoccin-A Deposited 2015-08-06 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 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded FSC FUSICOCCIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；HEPES, NaCl, DTT, PEG6000
Resolution 2.74 Å R-free 0.303
5EWZ Small-molecule stabilization of the 14-3-3/Gab2 PPI interface Deposited 2015-11-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded BEZ BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；1.2 M sodium hydrogen phosphate, 0.8 M dipotassium hydrogen phosphate, 0.2 M lithium sulfate, 0.1 M CAPS
Resolution 2.34 Å R-free 0.244
5EXA Small-molecule stabilization of the 14-3-3/Gab2 PPI interface Deposited 2015-11-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded 5SO Fusicoccin A-THF derivative × 2 BEZ BENZOIC ACID × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.17 M ammonium acetate, 0.085 M sodium citrate pH 5.6, 25.5% (w/v) PEG 4000, 15% (v/v) glycerol.
Resolution 1.95 Å R-free 0.234
5J31 Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS Deposited 2016-03-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded BEZ BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；1.26 M Tri-Sodium Citrate, 0.09 M HEPES pH 7.5, 10% Glycerol
Resolution 2.40 Å R-free 0.219
5JM4 Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain Deposited 2016-04-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 2–229（228 aa）
Chain B 2–229（228 aa）
Not recorded BEZ BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.09 M HEPES sodium salt pH 7.5; 1.26 M tri-Sodium citrate; 10 %(v/v) Glycerol
Resolution 2.34 Å R-free 0.244
5M35 The molecular tweezer CLR01 stabilizes a disordered protein-protein interface Deposited 2016-10-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 2–230（229 aa）
Chain B 2–230（229 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 2 BEZ BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277.15 K；0.17 M Ammonium acetate; 0.085 M Sodium citrate pH 5.6; 25.5%(w/v) PEG 4000; 15%(v/v) Glycerol
Resolution 2.38 Å R-free 0.277
5M36 The molecular tweezer CLR01 stabilizes a disordered protein-protein interface Deposited 2016-10-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 2–230（229 aa）
Chain B 2–230（229 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 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 × 4 BEZ BENZOIC ACID × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277.15 K；0.17 M Ammonium acetate; 0.085 M Sodium citrate pH 5.6; 25.5% (w/v) PEG 4000; 15% (v/v) Glycerol
Resolution 2.45 Å R-free 0.274
5M37 The molecular tweezer CLR01 stabilizes a disordered protein-protein interface Deposited 2016-10-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 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 × 4 BEZ BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.17 M Ammonium acetate;0.085 M tri-Sodium citrate pH 5.6; 25.5 %(w/v) PEG 4000; 15 %(v/v) Glycerol
Resolution 2.35 Å R-free 0.275
5NAS Crystal structure of human 14-3-3 zeta in complex with PI4KIIIB peptide Deposited 2017-02-28 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；MES, PEG, ethylene glycol
Resolution 2.08 Å R-free 0.231
5ULO Crystal Structure of 14-3-3 zeta in Complex with a Serine 124-phosphorylated TBC1D7 peptide Deposited 2017-01-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 UNX UNKNOWN LIGAND × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；25% PEG 3350, 0.2 M NaCl, 0.1 M HEPES pH7.5,5%~15% Ethylene Glycol
Resolution 2.14 Å R-free 0.270
5WXN Structure of the LKB1 and 14-3-3 complex Deposited 2017-01-08 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.15 M ammonium chloride, 18% PEG3350
Resolution 2.93 Å R-free 0.254
5XY9 Structure of the MST4 and 14-3-3 complex Deposited 2017-07-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded GOL GLYCEROL × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；289 K；0.2M MgCl2, 0.1M Tris pH 8.5, 25% PEG 3350
Resolution 2.30 Å R-free 0.245
6EF5 14-3-3 with peptide Deposited 2018-08-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277.15 K；0.1 M Tris pH 8.5, 0.1 M MgCl2, 0.001 M NiCl2 and 22% PEG 3350
Resolution 2.44 Å R-free 0.244
6EF5 14-3-3 with peptide Deposited 2018-08-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–245（245 aa）
Chain D 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277.15 K；0.1 M Tris pH 8.5, 0.1 M MgCl2, 0.001 M NiCl2 and 22% PEG 3350
Resolution 2.44 Å R-free 0.244
6EJL Structure of 14-3-3 zeta in complex with ASK1 14-3-3 binding motif Deposited 2017-09-21 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；Morpheus HT-96, condition H12
Resolution 2.38 Å R-free 0.215
6EWW Structure of 14-3-3 zeta in complex with CaMKK2 14-3-3 binding motif Deposited 2017-11-06 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291.15 K；PEG 2000, TRIS-HCl, HEPES, magnesium chloride, sodium fluoride, TCEP
Resolution 2.68 Å R-free 0.234
6EWW Structure of 14-3-3 zeta in complex with CaMKK2 14-3-3 binding motif Deposited 2017-11-06 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–230（230 aa）
Chain D 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291.15 K；PEG 2000, TRIS-HCl, HEPES, magnesium chloride, sodium fluoride, TCEP
Resolution 2.68 Å R-free 0.234
6F09 Binary complex of 14-3-3 zeta with ubiquitin specific protease 8 (USP8) pSer718 peptide Deposited 2017-11-17 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 1–230（230 aa）
Chain S 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.4; 40% PEG 300
Resolution 1.59 Å R-free 0.225
6F09 Binary complex of 14-3-3 zeta with ubiquitin specific protease 8 (USP8) pSer718 peptide Deposited 2017-11-17 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain Q 1–230（230 aa）
Chain R 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.4; 40% PEG 300
Resolution 1.59 Å R-free 0.225
6F09 Binary complex of 14-3-3 zeta with ubiquitin specific protease 8 (USP8) pSer718 peptide Deposited 2017-11-17 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 1–230（230 aa）
Chain S 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.4; 40% PEG 300
Resolution 1.59 Å R-free 0.225
6F09 Binary complex of 14-3-3 zeta with ubiquitin specific protease 8 (USP8) pSer718 peptide Deposited 2017-11-17 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain Q 1–230（230 aa）
Chain R 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.4; 40% PEG 300
Resolution 1.59 Å R-free 0.225
6FN9 Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins Deposited 2018-02-02 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 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded DW8 [2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-(propylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid × 2 BEZ BENZOIC ACID × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.09 M HEPES sodium salt pH 7.5 1.26 M tri-Sodium citrate 10 %(v/v) Glycerol
Resolution 2.27 Å R-free 0.256
6FNA Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins Deposited 2018-02-02 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 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded DWE [2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-[2-[3-[2-[2-[2-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid × 2 BEZ BENZOIC ACID × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.18 M Magnesium chloride 0.09 M Sodium HEPES pH 7.5 10% (v/v) Glycerol 27% (v/v) Isopropanol
Resolution 2.12 Å R-free 0.236
6FNB Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins Deposited 2018-02-02 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 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded BEZ BENZOIC ACID × 2 GOL GLYCEROL × 3 CA CALCIUM ION × 2 CL CHLORIDE ION × 4 DWQ [2-[2-oxidanylidene-2-[[3-[2-[5-[3-oxidanylidene-3-[3-[2-[2-[3-[3-[2-[2-[2-[[3-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]propoxy]pentoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.09 M HEPES sodium salt pH 7.5 1.26 M tri-Sodium citrate 10 %(v/v) Glycerol
Resolution 2.30 Å R-free 0.248
6FNC Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins Deposited 2018-02-02 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 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded DWK [2-[2-oxidanylidene-2-[[3-[3-[2-[2-[3-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid × 2 BEZ BENZOIC ACID × 2 GOL GLYCEROL × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.18 M Magnesium chloride, 0.09 M Sodium HEPES pH 7.5 10%(v/v) Glycerol 27%(v/v) Isopropanol
Resolution 2.12 Å R-free 0.246
6Q0K Structure of a MAPK pathway complex Deposited 2019-08-01 Different construct Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain X 1–245（245 aa）
Chain Y 1–245（245 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.80 Å
6RLZ Crystal Structure of 14-3-3zeta in complex with a macrocyclic 8-mer peptide derived from ExoS Deposited 2019-05-03 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 M Magnesium formate 20% PEG 3350 pH 7.5
Resolution 3.70 Å R-free 0.292
6U2H BRAF dimer bound to 14-3-3 Deposited 2019-08-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded 29L 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；PEG 6000 Tris pH 7.5
Resolution 2.50 Å R-free 0.263
6XAG Apo BRAF dimer bound to 14-3-3 Deposited 2020-06-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；100 mM HEPES pH 7.5, 200 mM ammonium sulfate, 23% (w/v) PEG 3350
Resolution 3.30 Å R-free 0.300
6YMO Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pS617 peptide Deposited 2020-04-09 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded SAL 2-HYDROXYBENZOIC ACID × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.8；277.15 K；2.04 M ammonium sulfate, 0.2 M sodium citrate supplemented with 10% of an additive buffer containing 0.33% w/v 3-aminobenzoic acid, 0.33% w/v 3-aminosalicylic acid, 0.33% w/v salicylic acid and 0.02 M HEPES sodium pH 6.8
Resolution 2.02 Å R-free 0.234
6YO8 Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 peptide Deposited 2020-04-14 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.3；277.15 K；1.29 M MgCl2, 22.5% PEG 3350, 0.1 M Tris pH 8.3, supplemented with 10% of an additive buffer containing 40% v/v of 2,5-Hexanediol
Resolution 2.09 Å R-free 0.238
6YO8 Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 peptide Deposited 2020-04-14 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–230（230 aa）
Chain D 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.3；277.15 K；1.29 M MgCl2, 22.5% PEG 3350, 0.1 M Tris pH 8.3, supplemented with 10% of an additive buffer containing 40% v/v of 2,5-Hexanediol
Resolution 2.09 Å R-free 0.238
6YOS Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 pS617 peptide Deposited 2020-04-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.8；293.15 K；0.35 M MgCl2, 24.4% PEG 3350, 0. 1 M Bis Tris pH 5.5 supplemented with 10% of an additive buffer containing 0.06 M CHAPS, 0.06 M HEPES, 0.06 M Tris, 0.25% w/v Hexamminecobalt(III) chloride and 0.02 M HEPES sodium pH 6.8.
Resolution 2.75 Å R-free 0.261
6ZFD 14-3-3 zeta bound to the phosphorylated 18E6 C-terminus Deposited 2020-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；19% PEG4000, 0.1M cacodylate, 20%glycerol as a cryoprotectant
Resolution 1.90 Å R-free 0.207
6ZFG 14-3-3 zeta chimera with 18E6 and fusicoccin Deposited 2020-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 1 FSC FUSICOCCIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；19% PEG4000, 0.1M cacodylate, 20%glycerol as a cryoprotectant
Resolution 1.85 Å R-free 0.219
7D8H CRTC1 pSer64 peptide in complex with 14-3-3 zeta Deposited 2020-10-08 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；200mM Ammonium acetate, 100mM Bis-Tris (pH6.5), 25% (w/v) Polyethylene glycol 3350
Resolution 2.42 Å R-free 0.246
7D8P CRTC1 pSer151 peptide in complex with 14-3-3 zeta Deposited 2020-10-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；200mM Ammonium acetate, 100mM Bis-Tris (pH6.5), 25% (w/v) Polyethylene glycol 3350
Resolution 2.00 Å R-free 0.229
7D9V CRTC1 pSer245 peptide in complex with 14-3-3 zeta Deposited 2020-10-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；200mM Ammonium acetate, 100mM Bis-Tris (pH6.5), 25% (w/v) Polyethylene glycol 3350
Resolution 2.21 Å R-free 0.240
7MFD Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved Deposited 2021-04-09 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–245（245 aa）
Chain D 1–245（245 aa）
Not recorded ZN ZINC ION × 2 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.66 Å
7MFE Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved Deposited 2021-04-09 Different construct 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 1–245（245 aa）
Chain C 1–245（245 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.07 Å
7MFF Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor Deposited 2021-04-09 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–245（245 aa）
Chain D 1–245（245 aa）
Not recorded 215 (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.89 Å
7Q16 Human 14-3-3 zeta fused to the BAD peptide including phosphoserine-74 Deposited 2021-10-18 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–229（229 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, SITTING DROP；pH 6.5；277 K；0.16 M calcium acetate, 0.08 M sodium cacodylate pH 6.5, 14.4 % w/v PEG 8000, 20 % v/v glycerol
Resolution 2.36 Å R-free 0.241
7ZIT 14-3-3 in complex with SARS-COV2 N phospho-peptide Deposited 2022-04-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded ACT ACETATE ION × 2 GOL GLYCEROL × 1 BEZ BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；9 0.2 M Sodium acetate 0.1 M Sodium cacodylate pH 6.5 30% (w/v) PEG 8000
Resolution 1.79 Å R-free 0.205
8A9G Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1 Deposited 2022-06-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 QJK 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；0.4 M MgCl2 27% w/v PEG 3350 0.1 M Bis Tris 6.5 pH
Resolution 1.96 Å R-free 0.261
8AH2 Crystal structure of human 14-3-3 zeta fused to the NPM1 peptide including phosphoserine-48 Deposited 2022-07-20 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–229（229 aa）
Mutation：S58A,E75A,K76A,K77A,K157A,K158A,E159A 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；288 K；0.01 M CoCl2, 0.1 M MES, pH 6.5, 2.2 M (NH4)2SO4
Resolution 2.90 Å R-free 0.323
8AH2 Crystal structure of human 14-3-3 zeta fused to the NPM1 peptide including phosphoserine-48 Deposited 2022-07-20 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–229（229 aa）
Mutation：S58A,E75A,K76A,K77A,K157A,K158A,E159A 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；288 K；0.01 M CoCl2, 0.1 M MES, pH 6.5, 2.2 M (NH4)2SO4
Resolution 2.90 Å R-free 0.323
8QDV Structure of 14-3-3 zeta delta C with the bivalent tau-pS214-pS324 peptide Deposited 2023-08-30 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–230（230 aa）
Chain B 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2M Sodium Fluoride, 0.1M bis-tris propane pH 6.5, 20% w/v PEG 3350
Resolution 2.50 Å R-free 0.260
8QDV Structure of 14-3-3 zeta delta C with the bivalent tau-pS214-pS324 peptide Deposited 2023-08-30 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 1–230（230 aa）
Chain G 1–230（230 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2M Sodium Fluoride, 0.1M bis-tris propane pH 6.5, 20% w/v PEG 3350
Resolution 2.50 Å R-free 0.260
8VYO Cryo-EM Structure of the BRAF WT monomer Deposited 2024-02-09 Different construct 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 2–230（229 aa）
Chain C 2–230（229 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Chameleon system (SPT Labtech)
Resolution 3.74 Å
8VYP Cryo-EM Structure of the BRAF V600E monomer Deposited 2024-02-09 Different construct 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 A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Chameleon system (SPT Labtech)
Resolution 3.29 Å
8VYQ Cryo-EM Structure of the BRAF V600K monomer Deposited 2024-02-09 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Chameleon system (SPT Labtech)
Resolution 4.43 Å
8VYR Cryo-EM Structure of the BRAF V600E monomer bound to GDC0879 Deposited 2024-02-09 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–245（245 aa）
Chain C 1–245（245 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Chameleon system (SPT Labtech)
Resolution 4.32 Å
8VYS Cryo-EM Structure of the BRAF V600E monomer bound to PLX8394 Deposited 2024-02-09 Different construct 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 2–245（244 aa）
Chain C 2–245（244 aa）
Not recorded A1AEN (3S)-N-{3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}-3-fluoropyrrolidine-1-sulfonamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Chameleon system (SPT Labtech)
Resolution 3.06 Å
8VYU Cryo-EM Structure of the BRAF WT monomer bound to PLX8394 Deposited 2024-02-09 Different construct 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 1–245（245 aa）
Chain C 1–245（245 aa）
Not recorded A1AEN (3S)-N-{3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}-3-fluoropyrrolidine-1-sulfonamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Chameleon system (SPT Labtech)
Resolution 4.07 Å
8VYV Cryo-EM Structure of the BRAF K601E monomer Deposited 2024-02-09 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Chameleon system (SPT Labtech)
Resolution 5.86 Å
8VYW Cryo-EM Structure of the BRAF D594G monomer Deposited 2024-02-09 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Chameleon system (SPT Labtech)
Resolution 4.76 Å
8WE2 14-3-3 zeta complexed with S609 phosphorylated peptide derived from GPIb alpha cytoplasmic domain Deposited 2023-09-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M Sodium Acetate, 20% PEG 3350
Resolution 2.11 Å R-free 0.238
8WF6 14-3-3 zeta complexed with S559 phosphorylated peptide derived from GPIb alpha cytoplasmic domain Deposited 2023-09-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；2% Tacsimate pH7.0, 0.1M Hepes pH7.5, 20% PEG 3350
Resolution 2.47 Å R-free 0.238
8WF6 14-3-3 zeta complexed with S559 phosphorylated peptide derived from GPIb alpha cytoplasmic domain Deposited 2023-09-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–245（245 aa）
Chain D 1–245（245 aa）
Not recorded SIN SUCCINIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；2% Tacsimate pH7.0, 0.1M Hepes pH7.5, 20% PEG 3350
Resolution 2.47 Å R-free 0.238
9FUM Dimeric 14-3-3 zeta in complex with MAP2c peptide containing pS435 Deposited 2024-06-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded CD CADMIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；100 mM HEPES pH(7.5), 400 mM Sodium acetate, 8mM Cadmium sulfate
Resolution 2.45 Å R-free 0.275
9FVL Dimeric 14-3-3 zeta in complex with unphosphorylated MAP2c peptide Deposited 2024-06-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–245（245 aa）
Chain B 1–245（245 aa）
Not recorded CD CADMIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；100 mM HEPES pH(7.5), 400 mM Sodium acetate, 8mM Cadmium sulfate
Resolution 2.08 Å R-free 0.283
9O2Z Autoinhibited BRAF:(14-3-3)2:MEK complex from Insect cells Deposited 2025-04-04 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–245（245 aa）
Chain D 1–245（245 aa）
Not recorded ZN ZINC ION × 2 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.83 Å
9SV3 Local refinement of EloB/EloC/VHL/CV2a/14-3-3zeta/ERa from pose 1 Deposited 2025-09-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric
Chain D 1–245（245 aa）
Chain I 1–245（245 aa）
Not recorded A1JQT ~{N}'-[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]-~{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]tridecanediamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
9UJ2 14-3-3 zeta chimera with the S202R peptide of SARS-CoV-2 N (residues 200-213) Deposited 2025-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Mutation：S202R,S58A,E73A,K74A,K75A,K157A,K158A,E159A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：S202R,S58A,E73A,K74A,K75A,K157A,K158A,E159A Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 16 PEG DI(HYDROXYETHYL)ETHER × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；288 K；1.8M Ammonium sulfate, 0.1M BIS-TRIS pH 6.5, 2% v/v Polyethylene glycol monomethyl ether 550
Resolution 1.80 Å R-free 0.233

73 other PDB entries and 87 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name 1433Z_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–230； UniProt 1–230 Author chain B； PDBConstruct 1–230； UniProt 1–230 Author chain I； PDBConstruct 1–230； UniProt 1–230 Author chain J； PDBConstruct 1–230； UniProt 1–230

Son of sevenless homolog 1

OrganismNot specified

UniProt Q07889

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain D； UniProt 1155–1167 Chain Q； UniProt 1155–1167 Non-standard monomer：Yes (specific site not provided by mmCIF) 14-3-3 protein zeta/delta × 2 （P63104） 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.2, 36% (v/v) PEG 300 Resolution 1.90 Å R-free 0.267
2 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain K； UniProt 1155–1167 Chain N； UniProt 1155–1167 Non-standard monomer：Yes (specific site not provided by mmCIF) 14-3-3 protein zeta/delta × 2 （P63104） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.2, 36% (v/v) PEG 300 Resolution 1.90 Å R-free 0.267

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 6F08 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1AWE HUMAN SOS1 PLECKSTRIN HOMOLOGY (PH) DOMAIN, NMR, 20 STRUCTURES Deposited 1997-10-01 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 422–551（130 aa） Fragment：PLECKSTRIN HOMOLOG (PH) DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 150 mM KCL；Pressure 1
Resolution not provided
1BKD COMPLEX OF HUMAN H-RAS WITH HUMAN SOS-1 Deposited 1998-07-06 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain S 568–1044（477 aa） Fragment：RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.80 Å R-free 0.281
1DBH DBL AND PLECKSTRIN HOMOLOGY DOMAINS FROM HSOS1 Deposited 1998-12-17 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 198–551（354 aa） Fragment：DBL AND PLECKSTRIN HOMOLOGY DOMAINS
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；5 MG/ML PROTEIN 100 MM BIS-TRIS PH 6.5 1-3% PEG6000 1 MM DTT
Resolution 2.30 Å R-free 0.269
1NVU Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa） Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR domain
Not recorded MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 5 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.20 Å R-free 0.211
1NVU Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain S 566–1046（481 aa） Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR domain
Not recorded MG MAGNESIUM ION × 4 PO4 PHOSPHATE ION × 20 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.20 Å R-free 0.211
1NVV Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa） Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
Not recorded MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 5 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.18 Å R-free 0.241
1NVV Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 24 PDB declaration: 24-meric
Chain S 566–1046（481 aa） Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
Not recorded MG MAGNESIUM ION × 8 PO4 PHOSPHATE ION × 40 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.18 Å R-free 0.241
1NVV Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain S 566–1046（481 aa） Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
Not recorded MG MAGNESIUM ION × 4 PO4 PHOSPHATE ION × 20 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.18 Å R-free 0.241
1NVV Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain S 566–1046（481 aa） Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
Not recorded MG MAGNESIUM ION × 2 PO4 PHOSPHATE ION × 10 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.18 Å R-free 0.241
1NVW Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa） Fragment：RESIDUES 566-1046, INCLUDING RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
Not recorded MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 7 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.246
1NVW Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 24 PDB declaration: 24-meric
Chain S 566–1046（481 aa） Fragment：RESIDUES 566-1046, INCLUDING RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
Not recorded MG MAGNESIUM ION × 8 PO4 PHOSPHATE ION × 56 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.246
1NVW Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain S 566–1046（481 aa） Fragment：RESIDUES 566-1046, INCLUDING RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
Not recorded MG MAGNESIUM ION × 4 PO4 PHOSPHATE ION × 28 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.246
1NVX Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa） Fragment：residues 566-10466, including the RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
Not recorded MG MAGNESIUM ION × 1 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；2-8% PEG 4000, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.20 Å R-free 0.261
1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–191（191 aa） Fragment：N-terminal Histone domain
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.21 Å R-free 0.292
1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–191（191 aa） Fragment：N-terminal Histone domain
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.21 Å R-free 0.292
1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–191（191 aa） Fragment：N-terminal Histone domain
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.21 Å R-free 0.292
1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–191（191 aa） Fragment：N-terminal Histone domain
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.21 Å R-free 0.292
1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–191（191 aa） Fragment：N-terminal Histone domain
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.21 Å R-free 0.292
1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–191（191 aa） Fragment：N-terminal Histone domain
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.21 Å R-free 0.292
1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 1–191（191 aa） Fragment：N-terminal Histone domain
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.21 Å R-free 0.292
1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 1–191（191 aa） Fragment：N-terminal Histone domain
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.21 Å R-free 0.292
1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain I 1–191（191 aa） Fragment：N-terminal Histone domain
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.21 Å R-free 0.292
1XD2 Crystal Structure of a ternary Ras:SOS:Ras*GDP complex Deposited 2004-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 566–1049（484 aa） Fragment：residues 566-1049, including Ras guanine nucleotide exchange factor fragment
Not recorded MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 4 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Hepes, Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.245
1XD4 Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS) Deposited 2004-09-03 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 198–1049（852 aa） Fragment：residues 198-1049
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG200, ethylene glycol, strontium chloride, HEPES, sucrose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.64 Å R-free 0.371
1XD4 Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS) Deposited 2004-09-03 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 198–1049（852 aa） Fragment：residues 198-1049
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG200, ethylene glycol, strontium chloride, HEPES, sucrose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.64 Å R-free 0.371
1XDV Experimentally Phased Structure of Human the Son of Sevenless protein at 4.1 Ang. Deposited 2004-09-08 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 198–1044（847 aa） Fragment：residues 198-1044
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；298 K；PEG 4000, HEPES, pH 7.5, VAPOR DIFFUSION, temperature 298K
Resolution 4.10 Å R-free 0.449
1XDV Experimentally Phased Structure of Human the Son of Sevenless protein at 4.1 Ang. Deposited 2004-09-08 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 198–1044（847 aa） Fragment：residues 198-1044
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；298 K；PEG 4000, HEPES, pH 7.5, VAPOR DIFFUSION, temperature 298K
Resolution 4.10 Å R-free 0.449
2II0 Crystal Structure of catalytic domain of Son of sevenless (Rem-Cdc25) in the absence of Ras Deposited 2006-09-27 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa） Fragment：catalytic domain, RasGEF (residues 564-1049)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG3350, 0.2M ammonium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.02 Å R-free 0.248
3KSY Crystal structure of the Histone domain, DH-PH unit, and catalytic unit of the Ras activator Son of Sevenless (SOS) Deposited 2009-11-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–1049（1049 aa） Fragment：SOS-HDPC, (UNP residues 1-1049)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；Crystals of SOS-HDPC (residues 1-1049) were grown at room temperature using hanging-drop vapor diffusion by mixing equal volumes of protein (20 mg/ml) and reservoir solutions (140-190 mM sodium thiocyanate, 14%-16% PEG 3350, and 0.1 M SPG (Succinic acid, Phosphate, Glycine) buffer [pH 6.0 or 6.5]). , VAPOR DIFFUSION, HANGING DROP
Resolution 3.18 Å R-free 0.312
3KSY Crystal structure of the Histone domain, DH-PH unit, and catalytic unit of the Ras activator Son of Sevenless (SOS) Deposited 2009-11-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–1049（1049 aa） Fragment：SOS-HDPC, (UNP residues 1-1049)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；Crystals of SOS-HDPC (residues 1-1049) were grown at room temperature using hanging-drop vapor diffusion by mixing equal volumes of protein (20 mg/ml) and reservoir solutions (140-190 mM sodium thiocyanate, 14%-16% PEG 3350, and 0.1 M SPG (Succinic acid, Phosphate, Glycine) buffer [pH 6.0 or 6.5]). , VAPOR DIFFUSION, HANGING DROP
Resolution 3.18 Å R-free 0.312
4NYI Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange Deposited 2013-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 2PX N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.96 Å R-free 0.208
4NYJ Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange Deposited 2013-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 2PZ N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.85 Å R-free 0.187
4NYM Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange Deposited 2013-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 RND N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-L-tryptophanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；0.1 M sodium acetate, 1.8 M sodium formate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.55 Å R-free 0.214
4URU The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa） Fragment：UNP RESIDUES 564-1049
Not recorded 6W2 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 3.2M SODIUM FORMATE, 2% DMSO
Resolution 2.83 Å R-free 0.237
4URV The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa） Fragment：UNP RESIDUES 564-1049
Not recorded FMT FORMIC ACID × 2 UMK 4-(4-BROMOPHENYL)PIPERIDIN-4-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 3.2M SODIUM FORMATE, 2% DMSO
Resolution 2.58 Å R-free 0.232
4URW The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa） Fragment：UNP RESIDUES 564-1049
Not recorded DXO 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 3.2M SODIUM FORMATE, 2% DMSO
Resolution 2.76 Å R-free 0.230
4URX The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa） Fragment：RESIDUES 564-1049
Not recorded FK1 6-bromo-1H-indole × 1 HXY 1-(4-bromobenzyl)pyrrolidine × 1 FMT FORMIC ACID × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.49 Å R-free 0.227
4URY The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa） Fragment：RESIDUES 564-1049
Not recorded RV1 N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.47 Å R-free 0.229
4URZ The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa） Fragment：RESIDUES 564-1049
Not recorded VJP 1-[(4-aminophenyl)sulfonyl]piperidin-2-one × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.24 Å R-free 0.212
4US0 The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa） Fragment：UNP RESIDUES 564-1049
Not recorded NEN 1-ETHYL-PYRROLIDINE-2,5-DIONE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.17 Å R-free 0.212
4US1 The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa） Fragment：UNP RESIDUES 564-1049
Not recorded L71 (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.65 Å R-free 0.231
4US2 The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa） Fragment：UNP RESIDUES 564-1049
Not recorded L7S 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.48 Å R-free 0.228
5OVD Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in new crystal form Deposited 2017-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 560–1049（490 aa）
Mutation：Q560G, E561A, E562M, K563A EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 23% (v/v) ethylenglycol. No cryo required as grown from ethylenglycol as precipitant
Resolution 1.90 Å R-free 0.240
5OVE Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 1 Deposited 2017-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 560–1049（490 aa）
Mutation：Q560G, E561A, E562M, K563A EDO 1,2-ETHANEDIOL × 3 AXE 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 25% (v/v) ethylenglycol. Protein incubated with 2 MILLIMOLAR LIGAND prior to crystallization.
Resolution 1.85 Å R-free 0.323
5OVF Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 17 Deposited 2017-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 560–1049（490 aa）
Mutation：Q560G, E561A, E562M, K563A AWT 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 27% (v/v) ethylenglycol. Protein incubated with 2 MILLIMOLAR LIGAND prior to crystallization.
Resolution 2.01 Å R-free 0.285
5OVG Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 18 Deposited 2017-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 560–1049（490 aa）
Mutation：Q560G, E561A, E562M, K563A AWZ ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 27% (v/v) ethylenglycol. Protein incubated with 2 MILLIMOLAR LIGAND prior to crystallization.
Resolution 2.30 Å R-free 0.297
5OVH Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 21 Deposited 2017-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 560–1049（490 aa）
Mutation：Q560G, E561A, E562M, K563A AWW [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 23% (v/v) ethylenglycol. Protein incubated with 5 MILLIMOLAR LIGAND overnight at 277K prior to crystallization.
Resolution 2.30 Å R-free 0.330
5OVI Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor BAY-293 (compound 23) Deposited 2017-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 560–1049（490 aa）
Mutation：Q560G, E561A, E562M, K563A AXH 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 0.1 M TRIS pH 8.5, 25 % (w/v) PEG 3350. CRYO BUFFER WAS RESERVOIR SUPPLEMENTED WITH 2 MILLIMOLAR INHIBITOR (FROM 100 MILLIMOLAR DMSO STOCK) AND 15 % (v/v) ETHYLENE GLYCOL
Resolution 2.20 Å R-free 0.249
5WFO Ligand-bound Ras:SOS:Ras complex Deposited 2017-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 5UU 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.99 Å R-free 0.188
5WFP Ligand-bound Ras:SOS:Ras complex Deposited 2017-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 5UX 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.08 Å R-free 0.203
5WFQ Ligand-bound Ras:SOS:Ras complex Deposited 2017-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 5UV 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.26 Å R-free 0.196
5WFR Ligand-bound Ras:SOS:Ras complex Deposited 2017-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 5UW ~{N}-(3,3-diphenylpropyl)piperidin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.46 Å R-free 0.194
6BVI Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EC4 6-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.75 Å R-free 0.169
6BVJ Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EAS 5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.75 Å R-free 0.168
6BVK Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EAV N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-L-tryptophanamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.80 Å R-free 0.179
6BVL Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EBY N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-L-tryptophanamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.75 Å R-free 0.171
6BVM Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EBV (2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.80 Å R-free 0.178
6CUO Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 FFS N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.73 Å R-free 0.178
6CUP Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FFV N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.83 Å R-free 0.174
6CUR Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FFY N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.73 Å R-free 0.176
6D55 Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FWA 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.68 Å R-free 0.178
6D56 Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FVM 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.68 Å R-free 0.171
6D59 Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FVJ 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 1；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.70 Å R-free 0.173
6D5E Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 4 FVG 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.75 Å R-free 0.174
6D5G Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 CL CHLORIDE ION × 3 FVD 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole × 1 GOL GLYCEROL × 3 BME BETA-MERCAPTOETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.92 Å R-free 0.172
6D5H Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 3 FV7 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole × 1 FMT FORMIC ACID × 5 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.80 Å R-free 0.189
6D5J Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FV4 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.75 Å R-free 0.175
6D5L Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 FW7 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.70 Å R-free 0.175
6D5M Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 FW4 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 2.08 Å R-free 0.194
6D5V Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 FVY 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 2.04 Å R-free 0.186
6D5W Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 566–1046（481 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 FVV 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 2.48 Å R-free 0.228
6EPL Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 563–1049（487 aa）
Mutation：K563G GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Drops made from KRAS SOS1 complex (11.3 mg/ml in 5 mM Tris pH 7.5, 100 mM NaCl) and reservoir solution (3.65 M sodium Formate). No cryo protectant added.
Resolution 2.55 Å R-free 0.224
6EPM Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1 Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 563–1049（487 aa）
Mutation：K563G GOL GLYCEROL × 1 BQ5 (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for one day using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment
Resolution 2.50 Å R-free 0.211
6EPN Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F2 Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 563–1049（487 aa）
Mutation：G563K GOL GLYCEROL × 1 BQ2 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for 2.5 days using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment.
Resolution 2.50 Å R-free 0.218
6EPO RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3 Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 563–1049（487 aa）
Mutation：K563G GOL GLYCEROL × 1 BPW 3-(4-chlorophenyl)propan-1-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for two days using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment
Resolution 2.40 Å R-free 0.214
6EPP RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4 Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 563–1049（487 aa）
Mutation：K563G GOL GLYCEROL × 1 BOQ ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for three days at 277 K using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment
Resolution 2.40 Å R-free 0.201
6SCM SOS1 in Complex with Inhibitor BI-3406 Deposited 2019-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 2 EDO 1,2-ETHANEDIOL × 5 L7H ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；13% PEG8000, 0.1M Imidazole pH=8.0
Resolution 1.87 Å R-free 0.220
6SFR SOS1 in Complex with Inhibitor BI-68BS Deposited 2019-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 2 LBK 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.4；277 K；0.1 M Imidazole, 3% PEG8000
Resolution 1.92 Å R-free 0.245
6SFR SOS1 in Complex with Inhibitor BI-68BS Deposited 2019-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 2 LBK 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.4；277 K；0.1 M Imidazole, 3% PEG8000
Resolution 1.92 Å R-free 0.245
6V94 Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 QTV 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.80 Å R-free 0.172
6V9F Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 QTS 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.85 Å R-free 0.171
6V9J Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 QTM 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.76 Å R-free 0.166
6V9L Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 1 QTJ 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.70 Å R-free 0.175
6V9M Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 QTG 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.65 Å R-free 0.180
6V9N Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 QTD 4-phenoxybenzene-1-sulfonamide × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.65 Å R-free 0.177
6V9O Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 566–1046（481 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 QTA 3-(phenylsulfonyl)benzene-1-sulfonamide × 2 FMT FORMIC ACID × 7 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
Resolution 1.80 Å R-free 0.169
6Y44 14-3-3 Sigma in complex with phosphorylated SOS1 peptide Deposited 2020-02-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 1155–1167（13 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
7AVI Crystal structure of SOS1 in complex with compound 2 Deposited 2020-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded S2Q 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 4000, 60 mM Tris, 2 mM DTT
Resolution 1.93 Å R-free 0.245
7AVI Crystal structure of SOS1 in complex with compound 2 Deposited 2020-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 564–1049（486 aa）
Not recorded S2Q 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 4000, 60 mM Tris, 2 mM DTT
Resolution 1.93 Å R-free 0.245
7AVL Crystal structure of SOS1 in complex with compound 4 Deposited 2020-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 4 S2Z 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 60 mM Tris, 2mM DTT
Resolution 1.72 Å R-free 0.269
7AVL Crystal structure of SOS1 in complex with compound 4 Deposited 2020-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 3 S2Z 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 60 mM Tris, 2mM DTT
Resolution 1.72 Å R-free 0.269
7AVS Crystal structure of SOS1 in complex with compound 6 Deposited 2020-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 2 S3Q 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
Resolution 2.28 Å R-free 0.259
7AVS Crystal structure of SOS1 in complex with compound 6 Deposited 2020-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 2 S3Q 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
Resolution 2.28 Å R-free 0.259
7AVT Crystal structure of SOS1 in complex with compound 7 Deposited 2020-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 2 S3T ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
Resolution 1.88 Å R-free 0.252
7AVT Crystal structure of SOS1 in complex with compound 7 Deposited 2020-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 2 S3T ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
Resolution 1.88 Å R-free 0.252
7AVU Crystal structure of SOS1 in complex with compound 8 Deposited 2020-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 1 S3Z ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
Resolution 2.10 Å R-free 0.266
7AVU Crystal structure of SOS1 in complex with compound 8 Deposited 2020-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 564–1049（486 aa）
Not recorded S3Z ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
Resolution 2.10 Å R-free 0.266
7AVV Crystal structure of SOS1 in complex with compound 9 Deposited 2020-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded IMD IMIDAZOLE × 1 S2W ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
Resolution 2.12 Å R-free 0.240
7KFZ Structure of a ternary KRas(G13D)-SOS complex Deposited 2020-10-15 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 564–1049（486 aa） Fragment：UNP residues 564-1049
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.47 Å
7UKR Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction Deposited 2022-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded NKF 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；10% PEG 8000, 10% Ethanol, 100 mM Tris pH 8 at 8 C
Resolution 2.50 Å R-free 0.282
7UKR Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction Deposited 2022-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 564–1049（486 aa）
Not recorded NKF 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；10% PEG 8000, 10% Ethanol, 100 mM Tris pH 8 at 8 C
Resolution 2.50 Å R-free 0.282
7UKS Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15) Deposited 2022-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded NL0 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；281 K；5-15% PEG 8000, 5-15% Ethanol, 100 mM Tris pH 8
Resolution 2.29 Å R-free 0.275
8BE2 Crystal structure of SOS1-Nanobody77 Deposited 2022-10-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain S 564–1049（486 aa）
Not recorded SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ammonium sulfate 1.5 M, Tris 0.1 M pH 8.5
Resolution 1.90 Å R-free 0.211
8BE4 Crystal structure of SOS1-KRasG12V-Nanobody14 Deposited 2022-10-21 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 564–1049（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14% PEG 1000, Tris 0.1 M pH 7.0
Resolution 1.90 Å R-free 0.199
8BE5 Crystal structure of SOS1-KRasG12V-Nanobody22-Nanobody75 Deposited 2022-10-21 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain AAZA 564–1049（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；10% PEG 4000, 0.1 M sodium citrate, pH 5.5 and 0.2 M sodium acetate
Resolution 3.13 Å R-free 0.278
8BE6 Crystal structure of SOS1-HRas-peptidomimetic2 Deposited 2022-10-21 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 564–1049（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
Resolution 2.90 Å R-free 0.273
8BE7 Crystal structure of SOS1-HRas-peptidomimetic3 Deposited 2022-10-21 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 564–1049（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
Resolution 3.00 Å R-free 0.267
8BE8 Crystal structure of SOS1-HRas-peptidomimetic4 Deposited 2022-10-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 564–1049（486 aa）
Not recorded FMT FORMIC ACID × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
Resolution 2.40 Å R-free 0.237
8BE9 Crystal structure of SOS1-HRas-peptidomimetic5 Deposited 2022-10-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 564–1049（486 aa）
Not recorded CL CHLORIDE ION × 3 FMT FORMIC ACID × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
Resolution 2.51 Å R-free 0.229
8BEA Crystal structure of SOS1-HRas-peptidomimetic10 Deposited 2022-10-21 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 564–1049（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
Resolution 2.47 Å R-free 0.233
8XJJ Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 Deposited 2023-12-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1149（586 aa）
Not recorded A1LVJ 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile × 1 EDO 1,2-ETHANEDIOL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.1 M imidazole 8.0, 6% PEG 8000
Resolution 2.10 Å R-free 0.264
9MJL SOS1 IN COMPLEX WITH AN INHIBITOR Deposited 2024-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded A1BME 6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M imidazole, 8-18% PEG 8000
Resolution 2.62 Å R-free 0.321
9MJM SOS1 IN COMPLEX WITH AN INHIBITOR Deposited 2024-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 564–1049（486 aa）
Not recorded A1BMD 2-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-3-(2-oxaspiro[3.3]heptan-6-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one × 1 EDO 1,2-ETHANEDIOL × 6 IMD IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M imidazole, 8% - 18% PEG 8000
Resolution 2.17 Å R-free 0.265
9QFF Structure of SOS1 in complex with compound 3 Deposited 2025-03-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 560–1049（490 aa）
Not recorded A1I6H 3-[[3-(trifluoromethyl)phenyl]methyl]-2~{H}-1$l^{6},2,4-benzothiadiazine 1,1-dioxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；10-20% (w/v) PEG3350, 5% (v/v) ethanol and 100mM PCTP pH 8.0
Resolution 1.88 Å R-free 0.304

90 other PDB entries and 114 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SOS1_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain D； PDBConstruct 1–13； UniProt 1155–1167 Author chain K； PDBConstruct 1–13； UniProt 1155–1167 Author chain N； PDBConstruct 1–13； UniProt 1155–1167 Author chain Q； PDBConstruct 1–13； UniProt 1155–1167

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 6f08

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6f08
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6f08
Deposition date deposition_date2017-11-17
Structure title title14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1)
Keywords keywords14-3-3, SOS1, dimer, phosphosite, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier32.05 Å
Radius of gyration Rg (electron density) rg_electron31.50 Å
Forward intensity I(0) i0168060000.00
Molecular weight molecular_weight101570.0 kDa
Excluded volume excluded_volume126290 ų
Envelope volume envelope_volume161300 ų
Hydration-shell volume shell_volume43100 ų
Envelope diameter envelope_diameter109.7 Å
Shell Rg shell_rg38.39 Å
Envelope Rg envelope_rg31.02 Å
Shape Rg shape_rg31.52 Å
Total Rg total_rg31.98 Å
Total atoms total_atoms7125
Residues n_residues923
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
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax107.4 Å
Rg (real space) rg_real32.04 Å
Rg uncertainty (real space) rg_real_error0.82 Å
I(0) (real space) i0_real1.6810e+08
I(0) uncertainty (real space) i0_real_error2.6130e+06
Rg (reciprocal space) rg_reciprocal32.04 Å
I(0) (reciprocal space) i0_reciprocal168100000.0000
Solution quality estimate total_estimate0.8787
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary37.3 Å
Skewness Skewness skewness0.375
Kurtosis Kurtosis kurtosis-0.234
Angular range angular_range— – 0.2450 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha26560000.0000
Real-space data points n_real_points50
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.831; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.928
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

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7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id6f08A00
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_id6f08B00
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_id6f08I00
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_id6f08J00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology190 — Delta-Endotoxin; domain 1
Homologous superfamily homologous superfamily20 — 14-3-3 domain
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8. Citations (1)

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9. Files and Curves (10)