B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE
Homo sapiens
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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 433–726 | Fragment：UNP residues 432-726 | SM6 ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；10% PEG 8K 100mM Hepes pH8.0 3% aminocaproic acid 10% glycerol 2.6mg/ml protein 500uM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 293K | Resolution 3.40 Å R-free 0.268 |
| 2 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 433–726 | Fragment：UNP residues 432-726 | SM6 ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；10% PEG 8K 100mM Hepes pH8.0 3% aminocaproic acid 10% glycerol 2.6mg/ml protein 500uM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 293K | Resolution 3.40 Å R-free 0.268 |
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 3PSB | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1UWH The complex of wild type B-RAF and BAY439006. Deposited 2004-02-05 | 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
447–722（276 aa）
Fragment：KINASE DOMAIN, RESIDUES 447-722
Chain B
447–722（276 aa）
Fragment：KINASE DOMAIN, RESIDUES 447-722
|
Not recorded | BAX 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；pH 8.50
|
Resolution 2.95 Å R-free 0.257 |
| 1UWJ The complex of mutant V599E B-RAF and BAY439006. Deposited 2004-02-05 | 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
447–722（276 aa）
Fragment：KINASE DOMAIN, RESIDUES 447-722
Chain B
447–722（276 aa）
Fragment：KINASE DOMAIN, RESIDUES 447-722
|
Mutation：YES Mutation：YES | BAX 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；pH 8.50
|
Resolution 3.50 Å R-free 0.357 |
| 2FB8 Structure of the B-Raf kinase domain bound to SB-590885 Deposited 2005-12-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–723（279 aa）
Fragment：B-Raf kinase domain, residues 445-723
|
Not recorded | 215 (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；8% PEG 8000, 0.4 M LiCl, 0.1 M Tris, 0.02 M Bis-Tris Propane, 15% glycerol, 1 mM DTT, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 18K, temperature 291K
|
Resolution 2.90 Å R-free 0.291 |
| 2FB8 Structure of the B-Raf kinase domain bound to SB-590885 Deposited 2005-12-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–723（279 aa）
Fragment：B-Raf kinase domain, residues 445-723
|
Not recorded | 215 (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；8% PEG 8000, 0.4 M LiCl, 0.1 M Tris, 0.02 M Bis-Tris Propane, 15% glycerol, 1 mM DTT, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 18K, temperature 291K
|
Resolution 2.90 Å R-free 0.291 |
| 2L05 Solution NMR Structure of the Ras-binding domain of Serine/threonine-protein kinase B-raf from Homo sapiens, Northeast Structural Genomics Consortium Target HR4694F Deposited 2010-06-30 | Different construct 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
149–232（84 aa）
Fragment：RBD domain residues 149-232
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4.5；298 K；Ionic strength (raw mmCIF value) 0.1；Pressure ambient
NMR sample composition
0.84 mM [U-100% 13C; U-100% 15N] HR4694F, 20 mM ammonium acetate, 100 mM sodium chloride-3, 5 mM calcium chloride, 10 mM DTT, 0.02 % sodium azide, 50 uM DSS, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.69 mM [U-5% 13C; U-100% 15N] HR4694F, 20 mM ammonium acetate, 100 mM sodium chloride, 5 mM calcium chloride, 10 mM DTT, 0.02 % sodium azide, 50 uM DSS-14, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 3C4C B-Raf Kinase in Complex with PLX4720 Deposited 2008-01-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
444–721（278 aa）
Fragment：KINASE DOMAIN
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100mM BisTris at pH 6.0, 12.5% 2,5-hexanediol, and 12% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.57 Å R-free 0.303 |
| 3C4C B-Raf Kinase in Complex with PLX4720 Deposited 2008-01-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
444–721（278 aa）
Fragment：KINASE DOMAIN
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100mM BisTris at pH 6.0, 12.5% 2,5-hexanediol, and 12% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.57 Å R-free 0.303 |
| 3D4Q Pyrazole-based inhibitors of B-Raf kinase Deposited 2008-05-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
433–726（294 aa）
Fragment：Residues 432-726
|
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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；285 K；5% PEG 3350
0.1M Tris
10% Tacsimate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 285K
|
Resolution 2.80 Å R-free 0.250 |
| 3D4Q Pyrazole-based inhibitors of B-Raf kinase Deposited 2008-05-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
433–726（294 aa）
Fragment：Residues 432-726
|
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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；285 K；5% PEG 3350
0.1M Tris
10% Tacsimate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 285K
|
Resolution 2.80 Å R-free 0.250 |
| 3IDP B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor Deposited 2009-07-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
434–727（294 aa）
Fragment：kinase domain
|
Mutation：V600E | L1E N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.6；298 K；17% PEG 8000, 75 mM sodium succinate, 0.1 M Tris, pH 8.6, VAPOR DIFFUSION, temperature 298K
|
Resolution 2.70 Å R-free 0.264 |
| 3IDP B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor Deposited 2009-07-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
434–727（294 aa）
Fragment：kinase domain
|
Mutation：V600E | L1E N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.6；298 K；17% PEG 8000, 75 mM sodium succinate, 0.1 M Tris, pH 8.6, VAPOR DIFFUSION, temperature 298K
|
Resolution 2.70 Å R-free 0.264 |
| 3II5 The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor Deposited 2009-07-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：UNP residues 432-726
|
Not recorded | 831 N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide × 1 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1M Tris-HCl, pH 8.0, 18% PEG8k,100mM KH2PO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.79 Å R-free 0.251 |
| 3II5 The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor Deposited 2009-07-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：UNP residues 432-726
|
Not recorded | 831 N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1M Tris-HCl, pH 8.0, 18% PEG8k,100mM KH2PO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.79 Å R-free 0.251 |
| 3II5 The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor Deposited 2009-07-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
432–726（295 aa）
Fragment：UNP residues 432-726
Chain B
432–726（295 aa）
Fragment：UNP residues 432-726
|
Not recorded | 831 N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide × 2 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1M Tris-HCl, pH 8.0, 18% PEG8k,100mM KH2PO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.79 Å R-free 0.251 |
| 3NY5 Crystal structure of the RBD domain of serine/threonine-protein kinase B-raf from Homo sapiens. Northeast Structural Genomics Consortium Target HR4694F Deposited 2010-07-14 | 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
153–237（85 aa）
Fragment：RBD domain residues 153-237
Chain B
153–237（85 aa）
Fragment：RBD domain residues 153-237
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
Microbatch under Paraffin oil；pH 6.5；291 K；28% PEG 2000, 0.1M Bis-tris, pH 6.5, Microbatch under Paraffin oil, temperature 291K
|
Resolution 1.99 Å R-free 0.271 |
| 3NY5 Crystal structure of the RBD domain of serine/threonine-protein kinase B-raf from Homo sapiens. Northeast Structural Genomics Consortium Target HR4694F Deposited 2010-07-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
153–237（85 aa）
Fragment：RBD domain residues 153-237
Chain D
153–237（85 aa）
Fragment：RBD domain residues 153-237
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
Microbatch under Paraffin oil；pH 6.5；291 K；28% PEG 2000, 0.1M Bis-tris, pH 6.5, Microbatch under Paraffin oil, temperature 291K
|
Resolution 1.99 Å R-free 0.271 |
| 3NY5 Crystal structure of the RBD domain of serine/threonine-protein kinase B-raf from Homo sapiens. Northeast Structural Genomics Consortium Target HR4694F Deposited 2010-07-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
153–237（85 aa）
Fragment：RBD domain residues 153-237
Chain D
153–237（85 aa）
Fragment：RBD domain residues 153-237
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
Microbatch under Paraffin oil；pH 6.5；291 K；28% PEG 2000, 0.1M Bis-tris, pH 6.5, Microbatch under Paraffin oil, temperature 291K
|
Resolution 1.99 Å R-free 0.271 |
| 3PPJ Human B-Raf Kinase in Complex with a Furopyridine Inhibitor Deposited 2010-11-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：Kinase domain, UNP residues 432-726
|
Not recorded | FOI methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.70 Å R-free 0.272 |
| 3PPJ Human B-Raf Kinase in Complex with a Furopyridine Inhibitor Deposited 2010-11-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：Kinase domain, UNP residues 432-726
|
Not recorded | FOI methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.70 Å R-free 0.272 |
| 3PPK Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor Deposited 2010-11-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：Kinase domain, UNP residues 432-726
|
Not recorded | FNI 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 3350, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.00 Å R-free 0.280 |
| 3PPK Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor Deposited 2010-11-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：Kinase domain, UNP residues 432-726
|
Not recorded | FNI 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 3350, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.00 Å R-free 0.280 |
| 3PRF Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor Deposited 2010-11-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：Kinase domain, UNP residues 432-726
|
Not recorded | FP3 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 3350, Tris buffer, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.90 Å R-free 0.310 |
| 3PRF Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor Deposited 2010-11-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：Kinase domain, UNP residues 432-726
|
Not recorded | FP3 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 3350, Tris buffer, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.90 Å R-free 0.310 |
| 3PRI Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor Deposited 2010-11-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：Kinase domain, UNP residues 432-726
|
Not recorded | FP4 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；100 mM Tris, 10% PEG 4000, 0.2 M NDSB-256, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.50 Å R-free 0.303 |
| 3PRI Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor Deposited 2010-11-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：Kinase domain, UNP residues 432-726
|
Not recorded | FP4 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；100 mM Tris, 10% PEG 4000, 0.2 M NDSB-256, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.50 Å R-free 0.303 |
| 3PSD Non-oxime pyrazole based inhibitors of B-Raf kinase Deposited 2010-12-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
433–726（294 aa）
Fragment：UNP residues 432-726
|
Not recorded | SM7 6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；7.5% PEG 3350
100mM Tris pH8.0
10% Tacsimate
10% glycerol
1.6mg/ml protein
500uM inhibitor
, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.60 Å R-free 0.335 |
| 3PSD Non-oxime pyrazole based inhibitors of B-Raf kinase Deposited 2010-12-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
433–726（294 aa）
Fragment：UNP residues 432-726
|
Not recorded | SM7 6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；7.5% PEG 3350
100mM Tris pH8.0
10% Tacsimate
10% glycerol
1.6mg/ml protein
500uM inhibitor
, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.60 Å R-free 0.335 |
| 3Q4C Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292 Deposited 2010-12-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
|
Not recorded | RSW [(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 6.5；298 K；25mM magnesium acetate tetrahydrate, 100mM sodium cacodylate trihydrate, 20% PEG8K, pH 6.5, microbatch, temperature 298K
|
Resolution 3.20 Å R-free 0.280 |
| 3Q4C Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292 Deposited 2010-12-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 6.5；298 K；25mM magnesium acetate tetrahydrate, 100mM sodium cacodylate trihydrate, 20% PEG8K, pH 6.5, microbatch, temperature 298K
|
Resolution 3.20 Å R-free 0.280 |
| 3Q96 B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor Deposited 2011-01-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
446–727（282 aa）
Fragment：residues 446-727
Chain B
446–727（282 aa）
Fragment：residues 446-727
|
Not recorded | 0NF (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；14.025% PEG 8000, 0.8M NP Lithium Cl, 0.06M Tris base, 0.04M Tris Cl, VAPOR DIFFUSION, temperature 298K
|
Resolution 3.10 Å R-free 0.288 |
| 3Q96 B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor Deposited 2011-01-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
446–727（282 aa）
Fragment：residues 446-727
|
Not recorded | 0NF (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；14.025% PEG 8000, 0.8M NP Lithium Cl, 0.06M Tris base, 0.04M Tris Cl, VAPOR DIFFUSION, temperature 298K
|
Resolution 3.10 Å R-free 0.288 |
| 3Q96 B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor Deposited 2011-01-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
446–727（282 aa）
Fragment：residues 446-727
|
Not recorded | 0NF (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；14.025% PEG 8000, 0.8M NP Lithium Cl, 0.06M Tris base, 0.04M Tris Cl, VAPOR DIFFUSION, temperature 298K
|
Resolution 3.10 Å R-free 0.288 |
| 3SKC Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor Deposited 2011-06-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：Human B-raf Kinase UNP residues 432-726
|
Not recorded | BR2 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 10000, 100 mM Tris pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.20 Å R-free 0.271 |
| 3SKC Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor Deposited 2011-06-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：Human B-raf Kinase UNP residues 432-726
|
Not recorded | BR2 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 10000, 100 mM Tris pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.20 Å R-free 0.271 |
| 3TV4 Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor Deposited 2011-09-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：UNP residues 432-726
|
Not recorded | TV4 N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 8000, Tris pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.40 Å R-free 0.307 |
| 3TV4 Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor Deposited 2011-09-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：UNP residues 432-726
|
Not recorded | TV4 N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 8000, Tris pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.40 Å R-free 0.307 |
| 3TV6 Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor Deposited 2011-09-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：UNP residues 432-726
|
Not recorded | B0R 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 8000, Tris pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.30 Å R-free 0.288 |
| 3TV6 Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor Deposited 2011-09-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：UNP residues 432-726
|
Not recorded | B0R 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 8000, Tris pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.30 Å R-free 0.288 |
| 4DBN Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative Deposited 2012-01-16 | 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
445–726（282 aa）
Fragment：Kinase Domain (UNP residues 445-726)
Chain B
445–726（282 aa）
Fragment：Kinase Domain (UNP residues 445-726)
|
Not recorded | 0JA 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；9.6% PEG 8000, 0.8M LiCl, 100 mM Tris, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.15 Å R-free 0.243 |
| 4DBN Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative Deposited 2012-01-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–726（282 aa）
Fragment：Kinase Domain (UNP residues 445-726)
|
Not recorded | 0JA 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；9.6% PEG 8000, 0.8M LiCl, 100 mM Tris, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.15 Å R-free 0.243 |
| 4DBN Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative Deposited 2012-01-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–726（282 aa）
Fragment：Kinase Domain (UNP residues 445-726)
|
Not recorded | 0JA 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；9.6% PEG 8000, 0.8M LiCl, 100 mM Tris, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.15 Å R-free 0.243 |
| 4E26 BRAF in complex with an organic inhibitor 7898734 Deposited 2012-03-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
432–726（295 aa）
Fragment：UNP RESIDUES 432-768
Chain B
432–726（295 aa）
Fragment：UNP RESIDUES 432-768
|
Not recorded | 734 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 6.5；298 K；200 MM Magnesium acetate tetrahydrate, 100 mm sodium cacodylate trihydrate (pH 6.5), and 20% polyethylene glycol 8000, MICROBATCH, temperature 298K
|
Resolution 2.55 Å R-free 0.262 |
| 4E26 BRAF in complex with an organic inhibitor 7898734 Deposited 2012-03-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：UNP RESIDUES 432-768
|
Not recorded | 734 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 6.5；298 K；200 MM Magnesium acetate tetrahydrate, 100 mm sodium cacodylate trihydrate (pH 6.5), and 20% polyethylene glycol 8000, MICROBATCH, temperature 298K
|
Resolution 2.55 Å R-free 0.262 |
| 4E26 BRAF in complex with an organic inhibitor 7898734 Deposited 2012-03-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：UNP RESIDUES 432-768
|
Not recorded | 734 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 6.5；298 K；200 MM Magnesium acetate tetrahydrate, 100 mm sodium cacodylate trihydrate (pH 6.5), and 20% polyethylene glycol 8000, MICROBATCH, temperature 298K
|
Resolution 2.55 Å R-free 0.262 |
| 4E4X Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor Deposited 2012-03-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：B-Raf (432-726)
|
Not recorded | T1Q N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 8000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.60 Å R-free 0.315 |
| 4E4X Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor Deposited 2012-03-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：B-Raf (432-726)
|
Not recorded | T1Q N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 8000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.60 Å R-free 0.315 |
| 4EHE B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor Deposited 2012-04-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
432–726（295 aa）
Fragment：Kinase Domain
Chain B
432–726（295 aa）
Fragment：Kinase Domain
|
Not recorded | RI8 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 8000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.30 Å R-free 0.296 |
| 4EHG B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor Deposited 2012-04-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
432–726（295 aa）
Fragment：kinase domain
Chain B
432–726（295 aa）
Fragment：kinase domain
|
Mutation：V600E Mutation：V600E | RI9 N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；12% PEG 8000, 400 mM Ammonium sulfate, 100 mM MES/Malic Acid/ Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.50 Å R-free 0.270 |
| 4FC0 Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor Deposited 2012-05-23 | 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
445–726（282 aa）
Fragment：Kinase Domain (UNP residues 445-726)
Chain B
445–726（282 aa）
Fragment：Kinase Domain (UNP residues 445-726)
|
Not recorded | 0T2 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；277 K；7.8% PEG 8000, 0.8M LiCl, 100 mM Tris, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.95 Å R-free 0.243 |
| 4FK3 B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 Deposited 2012-06-12 | 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
443–722（280 aa）
Chain B
443–722（280 aa）
|
Mutation：I543A, I544S, I551K, Q562R, L588N, V600E, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G Mutation：I543A, I544S, I551K, Q562R, L588N, V600E, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 325 N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；277 K；100MM BISTRIS AT PH 6.0, 12.5% 2,5-HEXANEDIOL, AND 12% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.65 Å R-free 0.315 |
| 4FK3 B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 Deposited 2012-06-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
443–722（280 aa）
|
Mutation：I543A, I544S, I551K, Q562R, L588N, V600E, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 325 N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；277 K；100MM BISTRIS AT PH 6.0, 12.5% 2,5-HEXANEDIOL, AND 12% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.65 Å R-free 0.315 |
| 4FK3 B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 Deposited 2012-06-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
443–722（280 aa）
|
Mutation：I543A, I544S, I551K, Q562R, L588N, V600E, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；277 K；100MM BISTRIS AT PH 6.0, 12.5% 2,5-HEXANEDIOL, AND 12% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.65 Å R-free 0.315 |
| 4G9C Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor Deposited 2012-07-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：Kinase Domain (UNP residues 432-726)
|
Not recorded | 0WP 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；100 mM Tris pH 9.0, PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.50 Å R-free 0.291 |
| 4G9C Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor Deposited 2012-07-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：Kinase Domain (UNP residues 432-726)
|
Not recorded | 0WP 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；100 mM Tris pH 9.0, PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.50 Å R-free 0.291 |
| 4G9R B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor Deposited 2012-07-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：Kinase Domain (UNP residues 432-726)
|
Mutation：V600E | B1E 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；100 mM Tris, 16% PEG 8000, 100 mM NDSB-256, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.20 Å R-free 0.277 |
| 4G9R B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor Deposited 2012-07-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：Kinase Domain (UNP residues 432-726)
|
Mutation：V600E | B1E 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；100 mM Tris, 16% PEG 8000, 100 mM NDSB-256, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.20 Å R-free 0.277 |
| 4H58 BRAF in complex with compound 3 Deposited 2012-09-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
448–722（275 aa）
Fragment：protein kinase domain (UNP residues 448-722)
|
Not recorded | 10Z N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；salt, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.10 Å R-free 0.272 |
| 4H58 BRAF in complex with compound 3 Deposited 2012-09-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
448–722（275 aa）
Fragment：protein kinase domain (UNP residues 448-722)
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；salt, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.10 Å R-free 0.272 |
| 4H58 BRAF in complex with compound 3 Deposited 2012-09-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
448–722（275 aa）
Fragment：protein kinase domain (UNP residues 448-722)
|
Not recorded | CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；salt, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.10 Å R-free 0.272 |
| 4JVG B-Raf Kinase in Complex with Birb796 Deposited 2013-03-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
444–723（280 aa）
Fragment：Kinase Domain
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M BisTris propane, 30% PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.09 Å R-free 0.295 |
| 4JVG B-Raf Kinase in Complex with Birb796 Deposited 2013-03-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
444–723（280 aa）
Fragment：Kinase Domain
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M BisTris propane, 30% PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.09 Å R-free 0.295 |
| 4JVG B-Raf Kinase in Complex with Birb796 Deposited 2013-03-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
444–723（280 aa）
Fragment：Kinase Domain
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M BisTris propane, 30% PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.09 Å R-free 0.295 |
| 4JVG B-Raf Kinase in Complex with Birb796 Deposited 2013-03-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
444–723（280 aa）
Fragment：Kinase Domain
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M BisTris propane, 30% PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.09 Å R-free 0.295 |
| 4KSP Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632 Deposited 2013-05-17 | 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
445–726（282 aa）
Fragment：UNP residues 445-726
Chain B
445–726（282 aa）
Fragment：UNP residues 445-726
|
Not recorded | 1SU N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop, vapor diffusion；pH 8.3；277 K；9.6 % PEG 8000, 0.8M LiCl, 100 mM Tris pH 8.3, sitting drop, vapor diffusion, temperature 277K
|
Resolution 2.93 Å R-free 0.242 |
| 4KSP Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632 Deposited 2013-05-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–726（282 aa）
Fragment：UNP residues 445-726
|
Not recorded | 1SU N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop, vapor diffusion；pH 8.3；277 K；9.6 % PEG 8000, 0.8M LiCl, 100 mM Tris pH 8.3, sitting drop, vapor diffusion, temperature 277K
|
Resolution 2.93 Å R-free 0.242 |
| 4KSP Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632 Deposited 2013-05-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–726（282 aa）
Fragment：UNP residues 445-726
|
Not recorded | 1SU N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop, vapor diffusion；pH 8.3；277 K；9.6 % PEG 8000, 0.8M LiCl, 100 mM Tris pH 8.3, sitting drop, vapor diffusion, temperature 277K
|
Resolution 2.93 Å R-free 0.242 |
| 4KSQ Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B Deposited 2013-05-17 | 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
445–726（282 aa）
Fragment：UNP residues 445-726
Chain B
445–726（282 aa）
Fragment：UNP residues 445-726
|
Not recorded | 1SW N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop, vapor diffusion；pH 8.3；277 K；7.8% PEG 8000, 0.8M LiCl, 100 mM Tris pH 8.3, sitting drop, vapor diffusion, temperature 277K
|
Resolution 3.30 Å R-free 0.256 |
| 4KSQ Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B Deposited 2013-05-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–726（282 aa）
Fragment：UNP residues 445-726
|
Not recorded | 1SW N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop, vapor diffusion；pH 8.3；277 K；7.8% PEG 8000, 0.8M LiCl, 100 mM Tris pH 8.3, sitting drop, vapor diffusion, temperature 277K
|
Resolution 3.30 Å R-free 0.256 |
| 4KSQ Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B Deposited 2013-05-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–726（282 aa）
Fragment：UNP residues 445-726
|
Not recorded | 1SW N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop, vapor diffusion；pH 8.3；277 K；7.8% PEG 8000, 0.8M LiCl, 100 mM Tris pH 8.3, sitting drop, vapor diffusion, temperature 277K
|
Resolution 3.30 Å R-free 0.256 |
| 4MBJ Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor Deposited 2013-08-19 | 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
432–723（292 aa）
Fragment：protein kinase domain (UNP residues 432-723)
Chain B
432–723（292 aa）
Fragment：protein kinase domain (UNP residues 432-723)
|
Not recorded | DFS 2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG8000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.60 Å R-free 0.328 |
| 4MNE Crystal structure of the BRAF:MEK1 complex Deposited 2013-09-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
432–726（295 aa）
Fragment：kinase domain (UNP residues 432-726)
Chain C
432–726（295 aa）
Fragment：kinase domain (UNP residues 432-726)
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 573 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；20% PEG8000, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
Resolution 2.85 Å R-free 0.240 |
| 4MNE Crystal structure of the BRAF:MEK1 complex Deposited 2013-09-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain F
432–726（295 aa）
Fragment：kinase domain (UNP residues 432-726)
Chain G
432–726（295 aa）
Fragment：kinase domain (UNP residues 432-726)
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 573 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide × 3 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；20% PEG8000, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
Resolution 2.85 Å R-free 0.240 |
| 4MNF Crystal structure of BRAF-V600E bound to GDC0879 Deposited 2013-09-10 | 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
432–736（305 aa）
Fragment：kinase domain (UNP residues 432-736)
Chain B
432–736（305 aa）
Fragment：kinase domain (UNP residues 432-736)
|
Mutation：V600E Mutation：V600E | 29L 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；10% PEG8000, 0.1 M HEPES, pH 7.5, 0.5 M sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 292K
|
Resolution 2.80 Å R-free 0.275 |
| 4PP7 Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase Deposited 2014-02-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：protein kinase domain (UNP residues 432-726)
|
Not recorded | 2VX N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；100 mM Tris, pH 9.0, 8% PEG6000, glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.40 Å R-free 0.254 |
| 4PP7 Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase Deposited 2014-02-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：protein kinase domain (UNP residues 432-726)
|
Not recorded | 2VX N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；100 mM Tris, pH 9.0, 8% PEG6000, glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.40 Å R-free 0.254 |
| 4R5Y The complex structure of Braf V600E kinase domain with a novel Braf inhibitor Deposited 2014-08-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
444–723（280 aa）
Fragment：BRAF kinase domain (UNP residues 444-723)
|
Mutation：V600E, I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 3K3 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1 M Bis-Tris, pH 6.5, 23% PEG3350, 0.2 M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.50 Å R-free 0.306 |
| 4R5Y The complex structure of Braf V600E kinase domain with a novel Braf inhibitor Deposited 2014-08-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
444–723（280 aa）
Fragment：BRAF kinase domain (UNP residues 444-723)
|
Mutation：V600E, I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 3K3 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1 M Bis-Tris, pH 6.5, 23% PEG3350, 0.2 M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.50 Å R-free 0.306 |
| 4RZV Crystal structure of the BRAF (R509H) kinase domain monomer bound to Vemurafenib Deposited 2014-12-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
443–723（281 aa）
Fragment：Protein kinase domain residues 443-723
|
Mutation：R509H, I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 032 N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Tris pH 7.0, 18% (w/v) PEG2000 MME , VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.99 Å R-free 0.267 |
| 4RZV Crystal structure of the BRAF (R509H) kinase domain monomer bound to Vemurafenib Deposited 2014-12-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
443–723（281 aa）
Fragment：Protein kinase domain residues 443-723
|
Mutation：R509H, I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 032 N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Tris pH 7.0, 18% (w/v) PEG2000 MME , VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.99 Å R-free 0.267 |
| 4RZW Crystal structure of BRAF (R509H) kinase domain bound to AZ628 Deposited 2014-12-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
443–723（281 aa）
Fragment：Protein kinase domain residues 443-723
Chain B
443–723（281 aa）
Fragment：Protein kinase domain residues 443-723
|
Mutation：R509H, I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G Mutation：R509H, I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | B1E 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M HEPES pH 7.0, 0.2 M Mg(NO3)2, 18% (w/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.49 Å R-free 0.280 |
| 4RZW Crystal structure of BRAF (R509H) kinase domain bound to AZ628 Deposited 2014-12-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
443–723（281 aa）
Fragment：Protein kinase domain residues 443-723
|
Mutation：R509H, I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | B1E 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M HEPES pH 7.0, 0.2 M Mg(NO3)2, 18% (w/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.49 Å R-free 0.280 |
| 4RZW Crystal structure of BRAF (R509H) kinase domain bound to AZ628 Deposited 2014-12-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
443–723（281 aa）
Fragment：Protein kinase domain residues 443-723
|
Mutation：R509H, I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | B1E 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M HEPES pH 7.0, 0.2 M Mg(NO3)2, 18% (w/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.49 Å R-free 0.280 |
| 4WO5 Crystal structure of a BRAF kinase domain monomer Deposited 2014-10-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
444–723（280 aa）
Fragment：UNP residues 444-723
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, 0.2 M trimethylamine-N-oxide, 20% (w/v) PEG-MME 2,000
|
Resolution 2.83 Å R-free 0.260 |
| 4WO5 Crystal structure of a BRAF kinase domain monomer Deposited 2014-10-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
444–723（280 aa）
Fragment：UNP residues 444-723
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, 0.2 M trimethylamine-N-oxide, 20% (w/v) PEG-MME 2,000
|
Resolution 2.83 Å R-free 0.260 |
| 4XV1 B-Raf Kinase V600E oncogenic mutant in complex with PLX7904 Deposited 2015-01-26 | 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
444–705（262 aa）
Fragment：UNP RESIDUES 444-705
Chain B
444–705（262 aa）
Fragment：UNP RESIDUES 444-705
|
Mutation：S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R Mutation：S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R | 904 N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；100MM BISTRIS AT PH 6.0, 12.5% 2,5-
HEXANEDIOL, 12% PEG3350, VAPOR DIFFUSION, SITTING DROP,
TEMPERATURE 277K
|
Resolution 2.47 Å R-free 0.273 |
| 4XV2 B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib Deposited 2015-01-26 | 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
444–705（262 aa）
Fragment：UNP RESIDUES 444-705
Chain B
444–705（262 aa）
Fragment：UNP RESIDUES 444-705
|
Mutation：S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R Mutation：S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R | P06 Dabrafenib × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M BISTRIS AT PH 6.0, 12.5% 2,5-
HEXABEDIOL, 12% PEG3350, VAPOR DIFFUSION, SITTING DROP,
TEMPERATURE 277K
|
Resolution 2.50 Å R-free 0.244 |
| 4XV3 B-Raf Kinase V600E oncogenic mutant in complex with PLX7922 Deposited 2015-01-26 | 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
444–705（262 aa）
Fragment：UNP RESIDUES 444-705
Chain B
444–705（262 aa）
Fragment：UNP RESIDUES 444-705
|
Mutation：S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R Mutation：S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R | P02 N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M BISTRIS AT PH 6.0, 12.5% 2,5-
HEXABEDIOL, 12% PEG3350, VAPOR DIFFUSION, SITTING DROP,
TEMPERATURE 277K
|
Resolution 2.80 Å R-free 0.296 |
| 4XV9 B-Raf Kinase domain in complex with PLX5568 Deposited 2015-01-26 | 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
442–705（264 aa）
Fragment：UNP RESIDUES 444-705
|
Mutation：I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R | 1OO N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M MES AT PH6.0, 35% (V/V) 2-METHYL-
2,4-PENTANEDIOL 0.2M LI2SO4, VAPOR DIFFUSION, SITTING DROP,
TEMPERATURE 277K
|
Resolution 2.00 Å R-free 0.238 |
| 4YHT bRaf complexed with an inhibitor Deposited 2015-02-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
449–720（272 aa）
Fragment：UNP residues 449-720
|
Mutation：I542T, I543N, I550T, L705T, L715T | GOL GLYCEROL × 1 4EF 3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；100 mM Tris pH 8.0, 650 mM NaCl,
3-6 % PEG 8000
|
Resolution 3.05 Å R-free 0.233 |
| 4YHT bRaf complexed with an inhibitor Deposited 2015-02-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
449–720（272 aa）
Fragment：UNP residues 449-720
|
Mutation：I542T, I543N, I550T, L705T, L715T | GOL GLYCEROL × 1 4EF 3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；100 mM Tris pH 8.0, 650 mM NaCl,
3-6 % PEG 8000
|
Resolution 3.05 Å R-free 0.233 |
| 5C9C CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND Deposited 2015-06-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
Fragment：unp residues 432-726
|
Mutation：V600E | 4Z5 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；26% PEG 3350, 50 MM AMMONIUM
CITRATE, 50 MM SODIUM FLORIDE, 2 MG/ML PROTEIN, 5-FOLD MOLAR
EXCESS DP4978; CRYSTAL ID 215552F10, SITTING DROP VAPOR
DIFFUSION, TEMPERATURE 289K
|
Resolution 2.70 Å R-free 0.238 |
| 5C9C CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND Deposited 2015-06-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
Fragment：unp residues 432-726
|
Mutation：V600E | 4Z5 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；26% PEG 3350, 50 MM AMMONIUM
CITRATE, 50 MM SODIUM FLORIDE, 2 MG/ML PROTEIN, 5-FOLD MOLAR
EXCESS DP4978; CRYSTAL ID 215552F10, SITTING DROP VAPOR
DIFFUSION, TEMPERATURE 289K
|
Resolution 2.70 Å R-free 0.238 |
| 5C9C CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND Deposited 2015-06-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
432–726（295 aa）
Fragment：unp residues 432-726
Chain B
432–726（295 aa）
Fragment：unp residues 432-726
|
Mutation：V600E Mutation：V600E | 4Z5 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；26% PEG 3350, 50 MM AMMONIUM
CITRATE, 50 MM SODIUM FLORIDE, 2 MG/ML PROTEIN, 5-FOLD MOLAR
EXCESS DP4978; CRYSTAL ID 215552F10, SITTING DROP VAPOR
DIFFUSION, TEMPERATURE 289K
|
Resolution 2.70 Å R-free 0.238 |
| 5CSW B-RAF in complex with Dabrafenib Deposited 2015-07-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
442–721（280 aa）
Fragment：KINASE DOMAIN, UNP residues 442-721
|
Not recorded | P06 Dabrafenib × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 3350
|
Resolution 2.66 Å R-free 0.282 |
| 5CSW B-RAF in complex with Dabrafenib Deposited 2015-07-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
442–721（280 aa）
Fragment：KINASE DOMAIN, UNP residues 442-721
|
Not recorded | P06 Dabrafenib × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 3350
|
Resolution 2.66 Å R-free 0.282 |
| 5CSX CRYSTAL STRUCTURE OF B-RAF IN COMPLEX WITH BI 882370 Deposited 2015-07-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
442–721（280 aa）
Fragment：UNP residues 442-721
|
Not recorded | 54J N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide × 1 GLC alpha-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 3350
|
Resolution 2.51 Å R-free 0.282 |
| 5CT7 BRAF in Complex with RAF265 Deposited 2015-07-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–723（279 aa）
Fragment：kinase domain (UNP residues 445-723)
|
Not recorded | 55J 1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.4；277 K；12% PEG8000, 0.1 M NaCl, and 0.1 M Tris pH 8.4
|
Resolution 3.17 Å R-free 0.217 |
| 5CT7 BRAF in Complex with RAF265 Deposited 2015-07-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–723（279 aa）
Fragment：kinase domain (UNP residues 445-723)
|
Not recorded | 55J 1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.4；277 K；12% PEG8000, 0.1 M NaCl, and 0.1 M Tris pH 8.4
|
Resolution 3.17 Å R-free 0.217 |
| 5FD2 B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor Deposited 2015-12-15 | 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
433–726（294 aa）
Fragment：UNP residues 433-726
Chain B
433–726（294 aa）
Fragment：UNP residues 433-726
|
Not recorded | 5XJ 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 8000, tacsimate, tris
|
Resolution 2.89 Å R-free 0.278 |
| 5HI2 BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib Deposited 2016-01-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
444–723（280 aa）
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G. delta N486-P490 | BAX 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；292 K；20% PEG 3350, and 0.2M Potassium Nitrate
|
Resolution 2.51 Å R-free 0.237 |
| 5HID BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628 Deposited 2016-01-11 | 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
444–723（280 aa）
Chain B
444–723（280 aa）
|
Not recorded | B1E 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide × 2 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；20% PEG 3350, and 0.2M Potassium Nitrate
|
Resolution 2.50 Å R-free 0.279 |
| 5HIE BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib Deposited 2016-01-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
432–726（295 aa）
|
Not recorded | P06 Dabrafenib × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.1M Tris pH8.5, 19.3% PEG 8K, 500 mM NaCl
|
Resolution 3.00 Å R-free 0.221 |
| 5HIE BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib Deposited 2016-01-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
432–726（295 aa）
|
Not recorded | P06 Dabrafenib × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.1M Tris pH8.5, 19.3% PEG 8K, 500 mM NaCl
|
Resolution 3.00 Å R-free 0.221 |
| 5HIE BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib Deposited 2016-01-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
432–726（295 aa）
|
Not recorded | P06 Dabrafenib × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.1M Tris pH8.5, 19.3% PEG 8K, 500 mM NaCl
|
Resolution 3.00 Å R-free 0.221 |
| 5HIE BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib Deposited 2016-01-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
432–726（295 aa）
|
Not recorded | P06 Dabrafenib × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.1M Tris pH8.5, 19.3% PEG 8K, 500 mM NaCl
|
Resolution 3.00 Å R-free 0.221 |
| 5ITA Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM Deposited 2016-03-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
448–723（276 aa）
Fragment：residues 448-723
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 6DC N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.1 K；PEG3350
|
Resolution 1.95 Å R-free 0.244 |
| 5ITA Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM Deposited 2016-03-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
448–723（276 aa）
Fragment：residues 448-723
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 6DC N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.1 K；PEG3350
|
Resolution 1.95 Å R-free 0.244 |
| 5ITA Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM Deposited 2016-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
448–723（276 aa）
Fragment：residues 448-723
Chain B
448–723（276 aa）
Fragment：residues 448-723
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | 6DC N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.1 K；PEG3350
|
Resolution 1.95 Å R-free 0.244 |
| 5J17 Solution structure of Ras Binding Domain (RBD) of B-Raf Deposited 2016-03-29 | Different construct 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
151–232（82 aa）
Fragment：residues 151-232
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7.4；298 K；Ionic strength (raw mmCIF value) 0.2；Pressure 1
NMR sample composition
200 uM [U-99% 15N] B-RAF RBD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 5J18 Solution structure of Ras Binding Domain (RBD) of B-Raf complexed with Rigosertib (Complex I) Deposited 2016-03-29 | Different construct 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
151–232（82 aa）
|
Not recorded | 6FS N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7.4；298 K；Ionic strength (raw mmCIF value) 200；Pressure 1
NMR sample composition
200 uM [U-99% 13C; U-99% 15N] B-RAF-RBD:Rigosertib Complex I, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 5J2R Solution structure of Ras Binding Domain (RBD) of B-Raf Deposited 2016-03-29 | Different construct 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
151–232（82 aa）
Fragment：residues 151-232
|
Not recorded | 6FS N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7.4；298 K；Ionic strength (raw mmCIF value) 200；Pressure 1
NMR sample composition
200 uM [U-99% 13C; U-99% 15N] B-RAF RBD:Rigosertib Complex II, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 5JRQ BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM Deposited 2016-05-06 | 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
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
Chain B
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E | 6N9 N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide × 2 DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 1 TMA TETRAMETHYLAMMONIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100mM Tris pH 8.5, 14% PEG Monomethyl Ether 2000, and 200mM Trimethyl Amine N-oxide Dihydrate
|
Resolution 2.29 Å R-free 0.254 |
| 5JSM BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-3-VEM Deposited 2016-05-08 | 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
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
Chain B
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E | DMS DIMETHYL SULFOXIDE × 4 BEN BENZAMIDINE × 2 EOH ETHANOL × 3 6NB N,N'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1H-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide) × 1 CL CHLORIDE ION × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100mM Tris pH 8.5, 5% Ethanol, 2% Benzamidine HCl
|
Resolution 2.19 Å R-free 0.260 |
| 5JSM BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-3-VEM Deposited 2016-05-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
Chain D
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E | DMS DIMETHYL SULFOXIDE × 2 6NB N,N'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1H-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide) × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100mM Tris pH 8.5, 5% Ethanol, 2% Benzamidine HCl
|
Resolution 2.19 Å R-free 0.260 |
| 5JT2 BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-BISAMIDE Deposited 2016-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
Chain B
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E | BEN BENZAMIDINE × 2 6NC 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100mM Tris pH 8.5
5% Ethanol
2% Benzamidine HCl
|
Resolution 2.70 Å R-free 0.273 |
| 5JT2 BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-BISAMIDE Deposited 2016-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
Chain D
448–723（276 aa）
Fragment：Kinase domain (UNP residues 448-723)
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E | 6NC 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100mM Tris pH 8.5
5% Ethanol
2% Benzamidine HCl
|
Resolution 2.70 Å R-free 0.273 |
| 5VAL BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide Deposited 2017-03-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–723（279 aa）
Fragment：UNP residues 445-723
|
Not recorded | 92D N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；291 K；100 mM Tris ph 8.4, 12% PEG8000, and 100mM NaCl
|
Resolution 2.26 Å R-free 0.217 |
| 5VAL BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide Deposited 2017-03-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–723（279 aa）
Fragment：UNP residues 445-723
|
Not recorded | 92D N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；291 K；100 mM Tris ph 8.4, 12% PEG8000, and 100mM NaCl
|
Resolution 2.26 Å R-free 0.217 |
| 5VAM BRAF in Complex with RAF709 Deposited 2017-03-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–723（279 aa）
Fragment：UNP residues 445-723
|
Not recorded | 92J N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；291 K；100 mM Tris ph 8.4, 12% PEG8000, and 50mM NaCl
|
Resolution 2.10 Å R-free 0.223 |
| 5VAM BRAF in Complex with RAF709 Deposited 2017-03-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–723（279 aa）
Fragment：UNP residues 445-723
|
Not recorded | 92J N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；291 K；100 mM Tris ph 8.4, 12% PEG8000, and 50mM NaCl
|
Resolution 2.10 Å R-free 0.223 |
| 5VYK Crystal structure of the BRS domain of BRAF in complex with the CC-SAM domain of KSR1 Deposited 2017-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
36–110（75 aa）
Fragment：UNP Q8IVT5 residues 27-172, UNP F7FV05 residues 39-108
Chain C
36–110（75 aa）
Fragment：UNP Q8IVT5 residues 27-172, UNP F7FV05 residues 39-108
|
Not recorded | GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Tris pH 7.5, 3.0M sodium formate
|
Resolution 1.75 Å R-free 0.239 |
| 6B8U Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor Deposited 2017-10-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–723（279 aa）
Fragment：UNP residues 445-723
|
Not recorded | 8EN ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；277 K；10% PEG8000, 0.1 M sodium citrate pH 4.7, and 0.2 M sodium chloride
|
Resolution 2.68 Å R-free 0.218 |
| 6B8U Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor Deposited 2017-10-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–723（279 aa）
Fragment：UNP residues 445-723
|
Not recorded | 8EN ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；277 K；10% PEG8000, 0.1 M sodium citrate pH 4.7, and 0.2 M sodium chloride
|
Resolution 2.68 Å R-free 0.218 |
| 6CAD Crystal structure of RAF kinase domain bound to the inhibitor 2a Deposited 2018-01-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
444–723（280 aa）
|
Not recorded | EU4 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PEG 3350, 0.1M Bis-Tris Propane pH 6.5, 0.2M Sodium Nitrate
|
Resolution 2.55 Å R-free 0.277 |
| 6CAD Crystal structure of RAF kinase domain bound to the inhibitor 2a Deposited 2018-01-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
444–723（280 aa）
|
Not recorded | EU4 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PEG 3350, 0.1M Bis-Tris Propane pH 6.5, 0.2M Sodium Nitrate
|
Resolution 2.55 Å R-free 0.277 |
| 6N0P BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254) Deposited 2018-11-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
449–721（273 aa）
|
Not recorded | K81 N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Tris ph 7.7, 12% PEG8000, and 100 mM NaCl
|
Resolution 2.37 Å R-free 0.233 |
| 6N0P BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254) Deposited 2018-11-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
449–721（273 aa）
|
Not recorded | K81 N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Tris ph 7.7, 12% PEG8000, and 100 mM NaCl
|
Resolution 2.37 Å R-free 0.233 |
| 6N0Q BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. Deposited 2018-11-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–723（279 aa）
|
Not recorded | K7S N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Tris pH 8.3, 15% PEG8000, and 25% glycerol
|
Resolution 2.04 Å R-free 0.213 |
| 6N0Q BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. Deposited 2018-11-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–723（279 aa）
|
Not recorded | K7S N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Tris pH 8.3, 15% PEG8000, and 25% glycerol
|
Resolution 2.04 Å R-free 0.213 |
| 6NSQ Crystal structure of BRAF kinase domain bound to the inhibitor 2l Deposited 2019-01-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
444–723（280 aa）
Fragment：residues 444-723
Chain B
444–723（280 aa）
Fragment：residues 444-723
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | KZP 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；25% PEG 3350, 0.1M Bis-Tris Propane pH 7.75, 0.2M Sodium Malonate
|
Resolution 3.05 Å R-free 0.275 |
| 6NYB Structure of a MAPK pathway complex Deposited 2019-02-11 | 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
1–766（766 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 ZN ZINC ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.10 Å |
| 6P3D The co-crystal structure of BRAF(V600E) with ponatinib Deposited 2019-05-23 | 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
448–721（274 aa）
Fragment：KINASE DOMAIN RESIDUES 448-721
|
Not recorded | 0LI 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide × 2 SO4 SULFATE ION × 16 NH4 AMMONIUM ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；2 M AMMONIUM SULFATE, 5% (V/V) 2
-PROPANOL, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE
291K
|
Resolution 2.11 Å R-free 0.245 |
| 6P7G The co-crystal structure of BRAF(V600E) with PHI1 Deposited 2019-06-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
448–723（276 aa）
Fragment：Kinase domain residues 446-723
Chain B
448–723（276 aa）
Fragment：Kinase domain residues 446-723
|
Mutation：I543A, I544S, I551K, Q562R, L588N, V600E, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G Mutation：I543A, I544S, I551K, Q562R, L588N, V600E, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | E7M 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；0.1 M CHES/NaOH, 1 M Sodium Citrate
|
Resolution 2.65 Å R-free 0.279 |
| 6P7G The co-crystal structure of BRAF(V600E) with PHI1 Deposited 2019-06-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
448–723（276 aa）
Fragment：Kinase domain residues 446-723
Chain D
448–723（276 aa）
Fragment：Kinase domain residues 446-723
|
Mutation：I543A, I544S, I551K, Q562R, L588N, V600E, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G Mutation：I543A, I544S, I551K, Q562R, L588N, V600E, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | E7M 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；0.1 M CHES/NaOH, 1 M Sodium Citrate
|
Resolution 2.65 Å R-free 0.279 |
| 6PP9 Crystal structure of BRAF:MEK1 complex Deposited 2019-07-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；293 K；100 mM Bis-Tris pH 6.4, 200 mM Ammonium Sulfate, and 22% PEG3350
|
Resolution 2.59 Å R-free 0.245 |
| 6Q0J Structure of a MAPK pathway complex Deposited 2019-08-01 | 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
1–766（766 aa）
Chain B
1–766（766 aa）
|
Mutation：S365A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：S365A Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 2 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.90 Å |
| 6Q0K Structure of a MAPK pathway complex Deposited 2019-08-01 | 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
1–766（766 aa）
Chain B
1–766（766 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
|
Resolution 6.80 Å |
| 6Q0T Structure of a MAPK pathway complex Deposited 2019-08-02 | 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 × 5 PDB declaration: pentameric |
Chain A
1–766（766 aa）
Chain B
1–766（766 aa）
|
Mutation：S365A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：S365A Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 5.70 Å |
| 6U2G BRAF-MEK complex with AMP-PCP bound to BRAF Deposited 2019-08-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
432–726（295 aa）
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Ammonium sulfate, MES, PEK 8000
|
Resolution 2.89 Å R-free 0.276 |
| 6U2H BRAF dimer bound to 14-3-3 Deposited 2019-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
447–735（289 aa）
Chain D
447–735（289 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 |
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 |
| 6UAN B-Raf:14-3-3 complex Deposited 2019-09-11 | 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 B
1–766（766 aa）
Chain C
1–766（766 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 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 6UUO Crystal structure of BRAF kinase domain bound to the PROTAC P4B Deposited 2019-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
444–723（280 aa）
Chain B
444–723（280 aa）
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | QH1 N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；20% PEG 6000, 0.1 M HEPES pH 7.0, 0.2 M Calcium Chloride
|
Resolution 3.29 Å R-free 0.288 |
| 6UUO Crystal structure of BRAF kinase domain bound to the PROTAC P4B Deposited 2019-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
444–723（280 aa）
Chain B
444–723（280 aa）
|
Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G Mutation：I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G | QH1 N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；20% PEG 6000, 0.1 M HEPES pH 7.0, 0.2 M Calcium Chloride
|
Resolution 3.29 Å R-free 0.288 |
| 6V2U Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib Deposited 2019-11-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–723（279 aa）
|
Not recorded | P06 Dabrafenib × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM Tris pH 7, 2.5 M Sodium Chloride, 100 mM Magnesium Chloride
|
Resolution 3.78 Å R-free 0.309 |
| 6V2U Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib Deposited 2019-11-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
445–723（279 aa）
|
Not recorded | P06 Dabrafenib × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM Tris pH 7, 2.5 M Sodium Chloride, 100 mM Magnesium Chloride
|
Resolution 3.78 Å R-free 0.309 |
| 6V2W Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP Deposited 2019-11-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Bis-Tris pH 8.5, 200 mM Lithium Sulfate, and 22% PEG3350
|
Resolution 3.12 Å R-free 0.237 |
| 6XAG Apo BRAF dimer bound to 14-3-3 Deposited 2020-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
447–735（289 aa）
Chain D
447–735（289 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 7M0T Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Selumetinib Deposited 2021-03-11 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | 3EW 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3350
|
Resolution 3.19 Å R-free 0.254 |
| 7M0U Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Binimetinib Deposited 2021-03-11 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 QO7 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Bis-Tris pH 8.5, 200 mM Lithium Sulfate, and 22% PEG3350
|
Resolution 3.09 Å R-free 0.230 |
| 7M0V Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib Deposited 2021-03-11 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 EUI [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3,350
|
Resolution 3.16 Å R-free 0.234 |
| 7M0W Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Pimasertib Deposited 2021-03-11 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 QOA N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3,350
|
Resolution 3.09 Å R-free 0.233 |
| 7M0X Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and PD0325901 Deposited 2021-03-11 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 1 4BM N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；293 K；100 mM Bis-Tris pH 6.4, 200 mM Ammonium Sulfate, and 22% PEG3350
|
Resolution 2.47 Å R-free 0.215 |
| 7M0Y Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib Deposited 2021-03-11 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 QOM Trametinib × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3,350
|
Resolution 3.45 Å R-free 0.218 |
| 7M0Z Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and CH5126766 Deposited 2021-03-11 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 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；pH 8.5；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3,350
|
Resolution 3.12 Å R-free 0.225 |
| 7MFD Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved Deposited 2021-04-09 | 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
1–766（766 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 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 A
1–766（766 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 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
1–766（766 aa）
Chain B
1–766（766 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 7P3V B-Raf V600E structure bound to a new inhibitor Deposited 2021-07-08 | 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
448–719（272 aa）
Chain B
448–719（272 aa）
|
Not recorded | 5I4 ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；100 mM BisTrisPropane, 20% PEG 3350, and 250 mM Na-formate
|
Resolution 2.37 Å R-free 0.247 |
| 7SHV Crystal structure of BRAF kinase domain bound to GDC0879 Deposited 2021-10-11 | 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
432–726（295 aa）
Chain B
432–726（295 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 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；292 K；0.1 M Na Cacodylate pH 5.5, 0.1 M Ca Acetate, 12% PEG 8000
|
Resolution 2.88 Å R-free 0.242 |
| 7ZR0 CryoEM structure of HSP90-CDC37-BRAF(V600E) complex. Deposited 2022-05-03 | 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 K
1–766（766 aa）
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 7ZR5 CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(closed) complex Deposited 2022-05-03 | 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 K
1–766（766 aa）
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 7ZR6 CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(open) complex Deposited 2022-05-03 | 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 K
1–766（766 aa）
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.20 Å |
| 8C7X Crystal structure of BRAF in complex with a hybrid compound 6 Deposited 2023-01-17 | 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
444–721（278 aa）
Chain B
444–721（278 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 17 BR BROMIDE ION × 3 TXV ~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293.15 K；19% PEG3350, 0.1M bis-tris-propane pH 7.0, 0.2M sodium bromide, 10% ethylene glycol
|
Resolution 1.65 Å R-free 0.171 |
| 8C7Y Crystal structure of BRAF V600E in complex with a hybrid compound 6 Deposited 2023-01-17 | 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
444–721（278 aa）
Chain B
444–721（278 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 19 NO3 NITRATE ION × 1 TXV ~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293.15 K；13% PEG3350, 0.2M sodium nitrate, 5% ethylene glycol
|
Resolution 1.65 Å R-free 0.175 |
| 8DGS Cryo-EM structure of a RAS/RAF complex (state 1) Deposited 2022-06-24 | 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 × 5 PDB declaration: pentameric |
Chain A
1–766（766 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 ZN ZINC ION × 2 MG MAGNESIUM ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.30 Å |
| 8DGT Cryo-EM structure of a RAS/RAF complex (state 2) Deposited 2022-06-24 | 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 × 5 PDB declaration: pentameric |
Chain A
1–766（766 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 ZN ZINC ION × 2 MG MAGNESIUM ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 8F7O BRAF kinase in complex with TAK580 (tovorafenib) Deposited 2022-11-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
441–723（283 aa）
Chain B
441–723（283 aa）
|
Not recorded | QOP 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；8% tacimate pH 8.0, 20% PEG 3350
|
Resolution 3.54 Å R-free 0.269 |
| 8F7P BRAF kinase in complex with LXH254 (naporafenib) Deposited 2022-11-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
441–723（283 aa）
Chain B
441–723（283 aa）
|
Not recorded | K81 N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2 M MgCl2, 0.1 M Tris pH 8.5, 25% PEG 3350
|
Resolution 2.74 Å R-free 0.258 |
| 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
201–209（9 aa）
|
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
201–209（9 aa）
|
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 |
| 8QQG Structure of BRAF in Complex With Exarafenib (KIN-2787). Deposited 2023-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
448–722（275 aa）
|
Not recorded | WJ9 Exarafenib × 1 CL CHLORIDE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M Hepes pH 6.7, 3.9 M NaCl, 0.10 M SCN
|
Resolution 2.98 Å R-free 0.261 |
| 8QQG Structure of BRAF in Complex With Exarafenib (KIN-2787). Deposited 2023-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
448–722（275 aa）
|
Not recorded | WJ9 Exarafenib × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M Hepes pH 6.7, 3.9 M NaCl, 0.10 M SCN
|
Resolution 2.98 Å R-free 0.261 |
| 8QQG Structure of BRAF in Complex With Exarafenib (KIN-2787). Deposited 2023-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
448–722（275 aa）
|
Not recorded | WJ9 Exarafenib × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M Hepes pH 6.7, 3.9 M NaCl, 0.10 M SCN
|
Resolution 2.98 Å R-free 0.261 |
| 8VSO Ternary structure of 14-3-3 sigma, BRAF phosphopeptide (pS365) and compound 78 (1124378) Deposited 2024-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain P
361–369（9 aa）
Fragment：residues 361-369 (Uniprot numbering)
|
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；277.15 K；PEG4000, HEPES, CaCl2, glycerol
|
Resolution 1.50 Å R-free 0.189 |
| 8VYO Cryo-EM Structure of the BRAF WT monomer Deposited 2024-02-09 | 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 A
1–766（766 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 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 C
1–766（766 aa）
|
Mutation：V600E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 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 C
360–734（375 aa）
Fragment：NTpS and CTpS phosphopeptides
|
Mutation：V600K 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；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 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 A
1–766（766 aa）
|
Mutation：V600E 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；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 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 A
1–766（766 aa）
|
Mutation：V600E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 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 A
1–766（766 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 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 C
1–766（766 aa）
|
Mutation：K601E 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；Chameleon system (SPT Labtech)
|
Resolution 5.86 Å |
| 8VYW Cryo-EM Structure of the BRAF D594G monomer Deposited 2024-02-09 | 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 C
360–734（375 aa）
Fragment：NTpS and CTpS phosphopeptides
|
Mutation：D594G 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；Chameleon system (SPT Labtech)
|
Resolution 4.76 Å |
| 9AXX Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer Deposited 2024-03-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
445–723（279 aa）
Chain D
445–723（279 aa）
|
Not recorded | A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 3 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 11 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.24 M di-ammonium hydrogen phosphate pH 8.0, 20% w/v PEG 3350
|
Resolution 2.07 Å R-free 0.248 |
| 9AXY Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF Deposited 2024-03-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 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, HANGING DROP；pH 8；291 K；0.2 M Lithium chloride, 0.1 M TRIS pH 8, 20% w/v PEG 8000
|
Resolution 3.60 Å R-free 0.237 |
| 9BFB Crystal structure of BRAF kinase domain with PF-07284890 Deposited 2024-04-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–723（279 aa）
|
Not recorded | PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 1 A1AN9 N-{2-chloro-3-[(3,5-dimethyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoropropane-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；293 K；100mM Hepes pH 7.0, 15 % PEG 8K, 10% Tacsimate
|
Resolution 1.92 Å R-free 0.189 |
| 9BP8 Crystal structure of BRAF kinase domain with PF-07799933 Deposited 2024-05-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
445–723（279 aa）
|
Not recorded | A1AQY N-{(1R,2P)-6-chloro-5-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorocyclohexa-2,3,5-trien-1-yl}-3-fluoroazetidine-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 4 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；17% PEG5000MME, 1% PEG6000, Sodium Acetate, 0.2M NaCl, 5% Tacsimate.
|
Resolution 1.73 Å R-free 0.193 |
| 9ECU Crystal structure of the inactive BRAF/MEK1 complex bound to IK-595 Deposited 2024-11-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
445–723（279 aa）
Fragment：kinase domain
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 4 A1BIS 4-[2-chloro-3-(methylsulfamamido)phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 25% w/v PEG 3350
|
Resolution 3.46 Å R-free 0.237 |
| 9EW6 Binary structure of 14-3-3s and BRAF phosphopeptide (pS365) Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain P
361–369（9 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7
0.19 M CaCl2
5% glycerol
24-29% PEG400
|
Resolution 1.65 Å R-free 0.221 |
| 9O2Z Autoinhibited BRAF:(14-3-3)2:MEK complex from Insect cells Deposited 2025-04-04 | 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
1–766（766 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
122 other PDB entries and 189 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | BRAF1_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 14–307； UniProt 433–726 Author chain B； PDBConstruct 14–307； UniProt 433–726 |
