|
1C1Y
CRYSTAL STRUCTURE OF RAP.GMPPNP IN COMPLEX WITH THE RAS-BINDING-DOMAIN OF C-RAF1 KINASE (RAFRBD).
Deposited 1999-07-22
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
55–131(77 aa)
Fragment:RAFRBD, RESIDUES 51-131
|
Not recorded
|
MG MAGNESIUM ION × 1
GTP GUANOSINE-5'-TRIPHOSPHATE × 1
CA CALCIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.6;300 K;mmePeg5000, magnesium chloride, calcium chloride, ammonium sulphate., pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.90 Å
R-free 0.257
|
|
1FAQ
RAF-1 CYSTEINE RICH DOMAIN, NMR, 27 STRUCTURES
Deposited 1996-09-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
136–187(52 aa)
Fragment:CYSTEINE-RICH DOMAIN
|
Not recorded
|
ZN ZINC ION × 2
|
SOLUTION NMR
mmCIF provides none of the parsed conditions
|
Resolution not provided
|
|
1FAR
RAF-1 CYSTEINE RICH DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
Deposited 1996-09-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
136–187(52 aa)
Fragment:CYSTEINE-RICH DOMAIN
|
Not recorded
|
ZN ZINC ION × 2
|
SOLUTION NMR
mmCIF provides none of the parsed conditions
|
Resolution not provided
|
|
1RFA
NMR SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF C-RAF-1
Deposited 1995-04-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
55–132(78 aa)
Fragment:RAS BINDING DOMAIN, RESIDUES 55 - 132 WITH AN ADDITIONAL ALA AT THE N-TERMINUS
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
mmCIF provides none of the parsed conditions
|
Resolution not provided
|
|
3CU8
Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome
Deposited 2008-04-16
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
256–264(9 aa)
Fragment:Phosphorylated cRaf1 peptide
Chain Q
256–264(9 aa)
Fragment:Phosphorylated cRaf1 peptide
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
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
|
|
3IQJ
Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (10mer)
Deposited 2009-08-20
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–264(10 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;0.1M Hepes/NaOH ph 7.5, 0.2M CaCl2, 28% PEG 400, 5% glycerol, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.15 Å
R-free 0.153
|
|
3IQU
Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (6mer)
Deposited 2009-08-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–260(6 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;0.1M Hepes/NaOH ph 7.5, 0.2M CaCl2, 28% PEG 400, 5% glycerol, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.05 Å
R-free 0.151
|
|
3IQV
Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (6mer) and stabilisator Fusicoccin
Deposited 2009-08-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–260(6 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
FSC FUSICOCCIN × 2
CL CHLORIDE ION × 4
MG MAGNESIUM ION × 8
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;20mM Hepes/NaOH pH 7.5, 2mM MgCl2 and 2 mM DTT, set up for crystallization in 0.1 M Hepes/NaOH ph 7.5, 0.2 M CaCl2, 28% PEG 400, 5% glycerol, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.20 Å
R-free 0.153
|
|
3KUC
Complex of Rap1A(E30D/K31E)GDP with RafRBD(A85K/N71R)
Deposited 2009-11-27
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
51–131(81 aa)
Fragment:UNP residues 51-131
|
Mutation:A85K, N71R
|
GDP GUANOSINE-5'-DIPHOSPHATE × 1
MG MAGNESIUM ION × 1
CA CALCIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;298 K;20-25% PEG 8000, 100 mM Tris or HEPES pH 7.2-7.6, 10-200 mM Ca Acetate or 100 mM Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.92 Å
R-free 0.209
|
|
3KUD
Complex of Ras-GDP with RafRBD(A85K)
Deposited 2009-11-27
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
51–131(81 aa)
Fragment:UNP residues 51-131
|
Mutation:A85K
|
GDP GUANOSINE-5'-DIPHOSPHATE × 1
MG MAGNESIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;298 K;1.3M Na-Malonat pH 6.0, 100 mM MES pH 6.1, 4% Betaine, 2% Sarcosine, 2% N,N-dimethylglycine, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.15 Å
R-free 0.264
|
|
3NKX
Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome
Deposited 2010-06-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–264(10 aa)
Fragment:phosphorylated C-Raf peptide, UNP residues 255-264
Chain Q
255–264(10 aa)
Fragment:phosphorylated C-Raf peptide, UNP residues 255-264
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
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
|
|
3O8I
Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment
Deposited 2010-08-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain B
255–264(10 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
M1T 6,6-dihydroxy-1-methoxyhexan-2-one × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;277.15 K;0.095M HEPES Na, 26.6%(v/v) PEG400, 0.19M CaCl2, 5%(v/v) Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.00 Å
R-free 0.239
|
|
3OMV
Crystal structure of c-raf (raf-1)
Deposited 2010-08-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
323–618(296 aa)
Fragment:C-RAF kinase domain, UNP residues 323-618
Chain B
323–618(296 aa)
Fragment:C-RAF kinase domain, UNP residues 323-618
|
Not recorded
|
SM5 (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8;285 K;12% PEG 8K, 100 MM TRIS PH 8.0, 10% TACSIMATE, VAPOR DIFFUSION, HANGING DROP, temperature 285K
|
Resolution 4.00 Å
R-free 0.364
|
|
4FJ3
14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide
Deposited 2012-06-11
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain P
229–264(36 aa)
Fragment:UNP residues 229-264
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;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
|
|
4G0N
Crystal Structure of wt H-Ras-GppNHp bound to the RBD of Raf Kinase
Deposited 2012-07-09
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
54–131(78 aa)
Fragment:UNP residues 54-131
|
Not recorded
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
CA CALCIUM ION × 2
MG MAGNESIUM ION × 1
ACT ACETATE ION × 1
DTU (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.8;291 K;Protein solution: 10 - 16 mg/mL, 50 mM HEPES, pH 7.2, 50 mM NaCl, 10mM MgCl2 5% Glycerol, 1mM DTE, 10 M ZnCl2
Reservoir solution:200mM calcium acetate, 100mM sodium cacodylate pH 6.5, 18% PEG 8000.
Drop: 1uL protein, 1uL reservoir, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.45 Å
R-free 0.229
|
|
4G3X
Crystal Structure of Q61L H-Ras-GppNHp bound to the RBD of Raf Kinase
Deposited 2012-07-15
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
55–131(77 aa)
Fragment:UNP residues 55-131
|
Not recorded
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.8;291 K;Protein solution: 10 - 18 mg/mL, 50 mM HEPES, pH 7.2, 50 mM NaCl, 10mM MgCl2 5% Glycerol, 1mM DTE, 10 M ZnCl2 Reservoir solution:200mM calcium acetate, 100mM sodium cacodylate pH 6.5, 18% PEG 8000. Drop: 3uL protein, 3uL reservoir , VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 3.25 Å
R-free 0.271
|
|
4IEA
14-3-3 isoform sigma in complex with a phosphorylated C-RAF peptide
Deposited 2012-12-13
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
618–625(8 aa)
Fragment:UNP residues 618-625
|
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 7.4;277 K;95 mM Na-HEPES pH 7.4, 25.6 % PEG 400, 190 mM CaCl2, 5 % Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.70 Å
R-free 0.208
|
|
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 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 P
229–264(36 aa)
Fragment:UNP residues 229-264
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
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
|
|
6NTC
Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 1 of CRAF Kinase protein
Deposited 2019-01-28
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
55–131(77 aa)
|
Mutation:F61L, K65Q, Q66E, R67W, N71K, C81S, V88R, R89H, C95S, C96S
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
GOL GLYCEROL × 1
MG MAGNESIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293.15 K;30% PEG4000, 200mM NH4SO4, 100mM Na CaCo pH 6.5
|
Resolution 2.90 Å
R-free 0.278
|
|
6NTD
Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 12 of CRAF Kinase protein
Deposited 2019-01-28
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
55–131(77 aa)
|
Mutation:F61L, K65H, Q66E, N71K, C81S, V88R, R89H, C95S, C96S
|
MG MAGNESIUM ION × 1
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.6;293.15 K;30% PEG4000, 200mM NH4SO4, 100mM Na Citrate
|
Resolution 3.15 Å
R-free 0.287
|
|
6PTS
NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state A)
Deposited 2019-07-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain D
56–187(132 aa)
Fragment:RBD-CRD (UNP residues 56-187)
|
Not recorded
|
PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64
17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
ZN ZINC ION × 2
|
SOLUTION NMR
NMR measurement conditions
pH 5.5;298 K;Ionic strength (raw mmCIF value) 450;Pressure 1
NMR measurement conditions
pH 5.5;308 K;Ionic strength (raw mmCIF value) 150;Pressure 1
NMR sample composition
0.2 mM U-2H; U-15N; Ile Leu C-delta-13C, Val C-gamma-13C KRAS, 0.2 mM U-12C, 14N, 1H RBD-CRD, 0.4 mM U-12C, 14N, 1H MSP, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.2 mM U-12C, 14N, 1H KRAS, 0.2 mM U-2H; U-15N; Ile Leu C-delta-13C, Val C-gamma-13C RBD-CRD, 0.4 mM U-12C, 14N, 1H MSP, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.2 mM U-12C, 14N, 1H KRAS, 0.2 mM U-2H; U-15N; Ile Leu C-delta-13C, Val C-gamma-13C RBD-CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.2 mM U-12C, 14N, 1H KRAS, 0.2 mM U-2H; U-15N; Ile Leu C-delta-13C, Val C-gamma-13C RBD-CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.5 mM U-15N; Ile C-delta-13C, Met methyl-13C KRAS, 0.5 mM Leu C-delta-13C, Val C-gamma-13C, RBD-CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.5 mM [U-99% 15N]; [U-13C]; RBD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.3 mM [U-99% 15N]; [U-13C]; CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided
|
|
6PTW
NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B)
Deposited 2019-07-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain D
56–187(132 aa)
Fragment:RBD-CRD (UNP residues 56-187)
|
Not recorded
|
PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64
17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
ZN ZINC ION × 2
|
SOLUTION NMR
NMR measurement conditions
pH 5.5;298 K;Ionic strength (raw mmCIF value) 450;Pressure 1
NMR measurement conditions
pH 5.5;308 K;Ionic strength (raw mmCIF value) 150;Pressure 1
NMR sample composition
0.2 mM [Ile, Leu C-delta-13C; Val C-gamma-13C; U-15N; U-2H] KRAS, 0.2 mM [U-12C; U-14N; U-1H] RBD-CRD, 0.4 mM [U-12C; U-14N; U-1H] MSP, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.2 mM [U-12C; U-14N; U-1H] KRAS, 0.2 mM [Ile, Leu C-delta-13C; Val C-gamma-13C; U-15N; U-2H] RBD-CRD, 0.4 mM [U-12C; U-14N; U-1H] MSP, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.2 mM [Ile, Leu C-delta-13C; Val C-gamma-13C; U-15N] RBD-CRD, 0.2 mM [U-12C; U-14N; U-1H] KRAS Q43C, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.2 mM [Ile, Leu C-delta-13C; Val C-gamma-13C; U-15N] RBD-CRD, 0.2 mM [U-12C; U-14N; U-1H] KRAS N-term C, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.5 mM [U-15N; Ile C-delta-13C; Met methyl-13C] KRAS, 0.5 mM [Leu C-delta-13C; Val C-gamma-13C] RBD-CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.5 mM [U-13C; U-15N] RBD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.5 mM [U-13C; U-15N] CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided
|
|
6VJJ
Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
Deposited 2020-01-16
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–131(80 aa)
|
Not recorded
|
MG MAGNESIUM ION × 1
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
CL CHLORIDE ION × 3
EDO 1,2-ETHANEDIOL × 2
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.09M Halogens, 0.1M Imidazole.MES pH 6.5, 37.5% MPD, PEG 1000 and PEG 3350
|
Resolution 1.40 Å
R-free 0.195
|
|
6XGU
Crystal Structure of KRAS-Q61R (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
Deposited 2020-06-18
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–188(137 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
ZN ZINC ION × 3
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.8;293 K;100 mM Tris 7.8, 200 mM KBr, 200 mM KSCN, 3% PGA, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate
|
Resolution 2.70 Å
R-free 0.236
|
|
6XGV
Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
Deposited 2020-06-18
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–188(137 aa)
|
Mutation:Modified Cys95
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
ZN ZINC ION × 3
GOL GLYCEROL × 2
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;100 mM sodium cacodylate pH 6.5, 700 mM sodium acetate, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate
|
Resolution 2.11 Å
R-free 0.204
|
|
6XHA
Crystal Structure of KRAS-G12V (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
Deposited 2020-06-18
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–188(137 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
GOL GLYCEROL × 4
MG MAGNESIUM ION × 1
CL CHLORIDE ION × 2
ZN ZINC ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;100 mM sodium cacodylate pH 6.5, 200 mM MgCl2, 8% PGA, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate
|
Resolution 2.87 Å
R-free 0.269
|
|
6XHB
Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II)
Deposited 2020-06-18
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–188(137 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
CL CHLORIDE ION × 3
GOL GLYCEROL × 2
IPA ISOPROPYL ALCOHOL × 1
ZN ZINC ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;100 mM sodium cacodylate pH 6.5, 200 mM sodium citrate, 15% 2-propanol, 0.25% (w/v) n-octyl-beta-D-glucoside, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate, and 0.25% (w/v) n-dodecyl-beta-D-maltoside
|
Resolution 2.50 Å
R-free 0.221
|
|
6XI7
Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form I)
Deposited 2020-06-19
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–188(137 aa)
|
Not recorded
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
SO4 SULFATE ION × 2
CL CHLORIDE ION × 5
ZN ZINC ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.3;293 K;2218.18 mM AMSO4, 6.5% (w/v) PEG 400, pH 5.3
|
Resolution 1.95 Å
R-free 0.232
|
|
7JHP
Crystal structure of HRas in complex with the Ras-binding and cysteine-rich domains of CRaf-kinase
Deposited 2020-07-21
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
55–187(133 aa)
Fragment:UNP residues 55-187
|
Not recorded
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
ZN ZINC ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.1 M ammonium acetate, 0.1 M Bis-Tris, pH 5.5, 17% w/v PEG10000
|
Resolution 2.77 Å
R-free 0.264
|
|
7Z37
Structure of the RAF1-HSP90-CDC37 complex (RHC-II)
Deposited 2022-03-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain CP1
1–648(648 aa)
|
Not recorded
|
ATP ADENOSINE-5'-TRIPHOSPHATE × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE;blot for 3 seconds before plunging
|
Resolution 3.67 Å
|
|
7Z38
Structure of the RAF1-HSP90-CDC37 complex (RHC-I)
Deposited 2022-03-01
|
Different construct
Different oligomeric state
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
1–648(648 aa)
|
Not recorded
|
ATP ADENOSINE-5'-TRIPHOSPHATE × 2
MG MAGNESIUM ION × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE;blot for 3 seconds before plunging
|
Resolution 3.16 Å
|
|
8A68
Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3
Deposited 2022-06-16
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain B
255–263(9 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
MG MAGNESIUM ION × 6
L7U ~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH 7.5,
0.19 M CaCl2, 5% glycerol, 28% PEG 400
|
Resolution 1.60 Å
R-free 0.179
|
|
8A6F
Small molecule stabilizer (compound 8) for C-RAF and 14-3-3
Deposited 2022-06-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–264(10 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 4
O56 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH 7.5, 0.19 M CaCl2, 26% (v/v) PEG 400 and 5% (v/v)
glycerol
|
Resolution 1.60 Å
R-free 0.181
|
|
8A6H
Small molecule stabilizer (compound 7) for C-RAF and 14-3-3
Deposited 2022-06-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–264(10 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 4
L6L 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH 7.7, 0.19 M CaCl2, 24 % (v/v) PEG 400 and 5% (v/v) glycerol)
|
Resolution 1.60 Å
R-free 0.174
|
|
8ATR
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075297)
Deposited 2022-08-24
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–263(9 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 4
O6L 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
|
Resolution 1.70 Å
R-free 0.211
|
|
8ATS
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075306)
Deposited 2022-08-24
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–263(9 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 6
O5I 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
|
Resolution 1.40 Å
R-free 0.171
|
|
8AV0
small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3
Deposited 2022-08-26
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
256–264(9 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 6
O6C 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
|
Resolution 1.50 Å
R-free 0.180
|
|
8CHF
cryo-EM Structure of Craf:14-3-3:Mek1
Deposited 2023-02-07
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 6
PDB declaration: hexameric
|
Chain A
1–648(648 aa)
Chain B
1–648(648 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
29L 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 4.25 Å
|
|
8CPD
Cryo-EM structure of CRaf dimer with 14:3:3
Deposited 2023-03-02
|
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 × 4
PDB declaration: tetrameric
|
Chain A
1–648(648 aa)
Chain B
1–648(648 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.46 Å
|
|
8EPW
Crystal Structure of KRAS4b-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
Deposited 2022-10-06
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–131(80 aa)
|
Not recorded
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.15 M potassium bromide, 30% PEG 2000 MME
|
Resolution 2.00 Å
R-free 0.253
|
|
8GAE
Hsp90 provides platform for CRaf dephosphorylation by PP5
Deposited 2023-02-22
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 5
PDB declaration: pentameric
|
Chain D
404–610(207 aa)
|
Not recorded
|
K POTASSIUM ION × 2
MG MAGNESIUM ION × 2
ADP ADENOSINE-5'-DIPHOSPHATE × 1
ATP ADENOSINE-5'-TRIPHOSPHATE × 1
MN MANGANESE (II) ION × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE;3UL OF SAMPLE
10C
100% HUMIDITY
30S WAIT TIME
3S BLOT TIME
-2 BLOT FORCE
|
Resolution 3.30 Å
|
|
8GFT
Hsp90 provides platform for CRaf dephosphorylation by PP5
Deposited 2023-03-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 5
PDB declaration: pentameric
|
Chain D
336–618(283 aa)
|
Not recorded
|
ADP ADENOSINE-5'-DIPHOSPHATE × 1
MG MAGNESIUM ION × 2
K POTASSIUM ION × 2
ATP ADENOSINE-5'-TRIPHOSPHATE × 1
MN MANGANESE (II) ION × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE;3uL OF SAMPLE, 10C, 100%
HUMIDITY, 30S WAIT TIME, 3S
BLOT TIME, -2 BLOT FORCE
|
Resolution 3.80 Å
|
|
8JNA
CRAF ras-binding domain chimera, apo form
Deposited 2023-06-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
50–101(52 aa)
Chain B
114–141(28 aa)
|
Mutation:K65S, F99Y, S120W, D129E
Mutation:K65S, F99Y, S120W, D129E
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;1.0M tri-sodium citrate, 0.1M imidazole, pH 8.0
|
Resolution 1.70 Å
R-free 0.272
|
|
8JNB
CRAF ras-binding domain chimera, ligand complex
Deposited 2023-06-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
50–101(52 aa)
Chain B
114–141(28 aa)
|
Mutation:K65S, F99Y, S120W, D129E
Mutation:K65S, F99Y, S120W, D129E
|
USX 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.6;293 K;0.5M ammonium sulfate, 1.0M lithium sulfate, 0.1M sodium citrate, pH 5.6
|
Resolution 1.62 Å
R-free 0.242
|
|
8JOF
solution-structure of Ras Binding Domain (RBD) in C-RAF
Deposited 2023-06-07
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
51–131(81 aa)
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 6.8;298 K;Ionic strength (raw mmCIF value) 85;Pressure ambient
NMR sample composition
0.3 mM [U-100% 13C; U-100% 15N] Serine/threonine-protein Kinase C-RAF, 25 mM sodium phosphate, 50 mM sodium chloride, 10 mM magnesium dichloride, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided
|
|
8JOG
solution structure of Ras Binding Domein (RBD) in C-RAF with negative allosteric modulator.
Deposited 2023-06-07
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
51–131(81 aa)
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 6.8;298 K;Ionic strength (raw mmCIF value) 85;Pressure ambient
NMR sample composition
0.3 mM [U-100% 13C; U-100% 15N] Serin/threonine protein kinase C-RAF, 25 mM sodium phosphate, 50 mM sodium chloride, 10 mM magnesium dichloride, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided
|
|
8S42
Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 80 (1124898)
Deposited 2024-02-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–263(9 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 4
A1H5F 2-chloranyl-1-[8-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7
0.19 M CaCl2
5% glycerol
24-29% PEG400
|
Resolution 1.70 Å
R-free 0.194
|
|
8T74
Crystal structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD)
Deposited 2023-06-19
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–131(80 aa)
|
Not recorded
|
MG MAGNESIUM ION × 1
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.15 M DL-malic acid (pH 7.0), 20% PEG 3350
|
Resolution 1.65 Å
R-free 0.196
|
|
8T75
Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
Deposited 2023-06-19
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–188(137 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
ZN ZINC ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M sodium acetate (pH 4.6), 2 M sodium formate
|
Resolution 2.65 Å
R-free 0.219
|
|
8T75
Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
Deposited 2023-06-19
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain D
52–188(137 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
ZN ZINC ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M sodium acetate (pH 4.6), 2 M sodium formate
|
Resolution 2.65 Å
R-free 0.219
|
|
8T75
Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
Deposited 2023-06-19
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain F
52–188(137 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
ZN ZINC ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M sodium acetate (pH 4.6), 2 M sodium formate
|
Resolution 2.65 Å
R-free 0.219
|
|
8T75
Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
Deposited 2023-06-19
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain H
52–188(137 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
ZN ZINC ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M sodium acetate (pH 4.6), 2 M sodium formate
|
Resolution 2.65 Å
R-free 0.219
|
|
8U1L
Cryo-EM structure of the RAF1-HSP90-CDC37 complex in the closed state
Deposited 2023-09-01
|
Different construct
Different oligomeric state
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
2–648(647 aa)
|
Not recorded
|
ATP ADENOSINE-5'-TRIPHOSPHATE × 2
MG MAGNESIUM ION × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.3
cryo-EM vitrification conditions
Cryogen ETHANE;Grids were blotted for 4.5 seconds before plunging
|
Resolution 3.70 Å
|
|
9AXA
CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628
Deposited 2024-03-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Heteromer;Protein × 6
PDB declaration: hexameric
|
Chain A
306–648(343 aa)
Chain C
306–648(343 aa)
|
Mutation:Y340D Y341D
Non-standard monomer:Yes (specific site not provided by mmCIF)
Mutation:Y340D Y341D
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.36 Å
|
|
9AXC
Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex
Deposited 2024-03-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain A
306–648(343 aa)
Chain C
306–648(343 aa)
|
Mutation:Y340D Y341D
Mutation:Y340D Y341D
|
A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.16 Å
|
|
9AY7
Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF
Deposited 2024-03-07
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
337–615(279 aa)
|
Mutation:Y340D Y341D
|
ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2
MG MAGNESIUM ION × 2
NI NICKEL (II) ION × 1
ACT ACETATE ION × 5
EDO 1,2-ETHANEDIOL × 1
A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;291 K;0.2M sodium acetate pH 8.0, 20% w/v PEG 3350
|
Resolution 2.41 Å
R-free 0.236
|
|
9AYA
Crystal structure of CRAF/MEK complex with NST-628 and active RAF dimer
Deposited 2024-03-07
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain A
337–615(279 aa)
Chain C
337–615(279 aa)
|
Mutation:Y340D Y341D
Mutation:Y340D Y341D
|
A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2
ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2
MG MAGNESIUM ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7;291 K;0.2M magnesium chloride, 0.1M tris pH 7.0, 10% w/v PEG 8000
|
Resolution 2.59 Å
R-free 0.257
|
|
9EW1
Ternary structure of 14-3-3s, CRAF phosphopeptide (pS259) and compound 79 (1124379).
Deposited 2024-04-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–263(9 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 6
WQT 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7
0.19 M CaCl2
5% glycerol
24-29% PEG400
|
Resolution 1.40 Å
R-free 0.168
|
|
9EW3
Ternary structure of 14-3-3s, C-RAF phosphopeptide 12-mer (pS259) and compound 78 (1084378)
Deposited 2024-04-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–263(9 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 6
WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2
CA CALCIUM ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7
0.19 M CaCl2
5% glycerol
24-29% PEG400
|
Resolution 1.40 Å
R-free 0.229
|
|
9EW4
Ternary structure of 14-3-3s, C-RAF phosphopeptide 12mer (pS259) and compound 86 (1124384)
Deposited 2024-04-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–263(9 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 8
WQ9 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7
0.19 M CaCl2
5% glycerol
24-29% PEG400
|
Resolution 1.60 Å
R-free 0.211
|
|
9EW5
Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) 12mer and compound 23 (1083848)
Deposited 2024-04-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain C
255–265(11 aa)
Chain F
255–265(11 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2
CA CALCIUM ION × 3
MG MAGNESIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7
0.19 M CaCl2
5% glycerol
24-29% PEG400
|
Resolution 1.50 Å
R-free 0.216
|
|
9EW7
Binary structure of 14-3-3s and CRAF phosphopeptide (pS259)
Deposited 2024-04-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–264(10 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 4
CA CALCIUM ION × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7
0.19 M CaCl2
5% glycerol
24-29% PEG400
|
Resolution 1.80 Å
R-free 0.193
|
|
9MMP
Cryo-EM structure of CRAF/MEK1/14-3-3 complex (autoinhibited conformation)
Deposited 2024-12-20
|
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 × 4
PDB declaration: tetrameric
|
Chain A
1–648(648 aa)
|
Mutation:Q156R, D587E
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2
ZN ZINC ION × 2
LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5;50 mM Tris pH 7.5, 150 mM NaCl, 2 mM MgCl2, 0.5 mM TCEP, 2 uM ATPgS, 1 uM GDC0623
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å
|
|
9MMQ
Cryo-EM structure of CRAF/MEK1 complex (kinase domain)
Deposited 2024-12-20
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–648(648 aa)
|
Mutation:Q156R, D587E
|
AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2
MG MAGNESIUM ION × 2
LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5;50 mM Tris pH 7.5, 150 mM NaCl, 2 mM MgCl2, 0.5 mM TCEP, 2 uM ATPgS, 1 uM GDC0623
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å
|
|
9MMR
Cryo-EM structure of CRAF/MEK1/14-3-3 complex (open monomer conformation, CRAF Y340D/Y341D mutant)
Deposited 2024-12-20
|
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 × 4
PDB declaration: tetrameric
|
Chain A
1–648(648 aa)
|
Mutation:Q156R, Y340D, Y341D, D587E
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2
MG MAGNESIUM ION × 2
LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5;50 mM Tris pH 7.5, 150 mM NaCl, 2 mM MgCl2, 0.5 mM TCEP, 2 uM ATPgS, 1 uM GDC0623
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å
|
|
9MMS
Cryo-EM structure of CRAF/MEK1 complex (kinase domain, CRAF Y340D/Y341D mutant)
Deposited 2024-12-20
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–648(648 aa)
|
Mutation:Q156R, Y340D, Y341D, D587E
|
AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2
MG MAGNESIUM ION × 2
LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5;50 mM Tris pH 7.5, 150 mM NaCl, 2 mM MgCl2, 0.5 mM TCEP, 2 uM ATPgS, 1 uM GDC0623
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å
|
|
9O0U
Crystal structure of CRAF/MEK1 complex with PLX4720 and CH5126766
Deposited 2025-04-03
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
337–615(279 aa)
|
Mutation:Y340D, Y341D
|
324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1
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
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
Resolution 2.91 Å
R-free 0.264
|
|
9O0U
Crystal structure of CRAF/MEK1 complex with PLX4720 and CH5126766
Deposited 2025-04-03
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
337–615(279 aa)
|
Mutation:Y340D, Y341D
|
324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1
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
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
Resolution 2.91 Å
R-free 0.264
|
|
9O0U
Crystal structure of CRAF/MEK1 complex with PLX4720 and CH5126766
Deposited 2025-04-03
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain E
337–615(279 aa)
|
Mutation:Y340D, Y341D
|
324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1
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
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
Resolution 2.91 Å
R-free 0.264
|
|
9O0U
Crystal structure of CRAF/MEK1 complex with PLX4720 and CH5126766
Deposited 2025-04-03
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain G
337–615(279 aa)
|
Mutation:Y340D, Y341D
|
324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1
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
ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
Resolution 2.91 Å
R-free 0.264
|
|
9O0V
Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP
Deposited 2025-04-03
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
337–615(279 aa)
|
Mutation:Y340D, Y341D
|
324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1
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
ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
Resolution 3.50 Å
R-free 0.254
|
|
9O0V
Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP
Deposited 2025-04-03
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
337–615(279 aa)
|
Mutation:Y340D, Y341D
|
324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1
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
ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
Resolution 3.50 Å
R-free 0.254
|
|
9O0V
Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP
Deposited 2025-04-03
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain E
337–615(279 aa)
|
Mutation:Y340D, Y341D
|
324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1
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
ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
Resolution 3.50 Å
R-free 0.254
|
|
9O0V
Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP
Deposited 2025-04-03
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain G
337–615(279 aa)
|
Mutation:Y340D, Y341D
|
324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1
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
ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
Resolution 3.50 Å
R-free 0.254
|
|
9S2I
Ternary structure of 14-3-3, CRAF R256S NS mutant phosphopeptide (pS259), and compound 78 (1124378)
Deposited 2025-07-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–265(11 aa)
|
Mutation:R256S
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 4
WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
|
Resolution 1.67 Å
R-free 0.201
|
|
9S2J
Ternary structure of 14-3-3s, CRAF S257L NS mutant phosphopeptide (pS259) and compound 78 (1084378)
Deposited 2025-07-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–265(11 aa)
|
Mutation:S257L
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 4
WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
|
Resolution 1.50 Å
R-free 0.203
|
|
9S2K
Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 78 (1124378)
Deposited 2025-07-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–265(11 aa)
|
Mutation:V263A
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 6
WQN 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
|
Resolution 2.15 Å
R-free 0.233
|
|
9S2L
Ternary structure of 14-3-3s, CRAF R256S NS mutant phosphopeptide (pS259), and compound 23 (1083848)
Deposited 2025-07-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain H
255–265(11 aa)
Chain S
255–265(11 aa)
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2
MG MAGNESIUM ION × 6
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
|
Resolution 1.85 Å
R-free 0.223
|
|
9S2M
Ternary structure of 14-3-3s, CRAF S257L NS mutant phosphopeptide (pS259), and compound 23 (1083848)
Deposited 2025-07-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain H
255–265(11 aa)
Chain S
255–265(11 aa)
|
Mutation:S257L
Non-standard monomer:Yes (specific site not provided by mmCIF)
Mutation:S257L
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2
MG MAGNESIUM ION × 5
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
|
Resolution 2.00 Å
R-free 0.227
|
|
9S2N
Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 23 (1083848)
Deposited 2025-07-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain H
255–264(10 aa)
Chain S
255–264(10 aa)
|
Mutation:V263A
Non-standard monomer:Yes (specific site not provided by mmCIF)
Mutation:V263A
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
WQI 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide × 2
MG MAGNESIUM ION × 6
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
|
Resolution 1.85 Å
R-free 0.239
|
|
9S2O
Ternary structure of 14-3-3s, CRAF R256S NS mutant phosphopeptide (pS259), and compound 22 (1083853)
Deposited 2025-07-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain H
255–265(11 aa)
Chain S
255–265(11 aa)
|
Mutation:R256S
Non-standard monomer:Yes (specific site not provided by mmCIF)
Mutation:R256S
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
WPN ~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2
MG MAGNESIUM ION × 6
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
|
Resolution 1.80 Å
R-free 0.213
|
|
9S2P
Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 22 (1083853)
Deposited 2025-07-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain P
255–265(11 aa)
|
Mutation:V263A
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
CL CHLORIDE ION × 2
MG MAGNESIUM ION × 4
WPN ~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
|
Resolution 1.50 Å
R-free 0.197
|
|
9YGS
Crystal structure of GMPPNP bound KRAS-Y71H in complex with RBD domain of CRAF(RAF1)
Deposited 2025-09-29
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
52–131(80 aa)
|
Not recorded
|
GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1
MG MAGNESIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291.15 K;100 mM Potassium thiocyanate, 30% PEG monomethyl ether 2000.
|
Resolution 1.68 Å
R-free 0.233
|