|
10TC
Structure of WDR5 bound to RbBP5 (D376N)
Deposited 2026-02-07
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.15 M Ammonium citrate, 18% PEG3350
|
Resolution 2.20 Å
R-free 0.243
|
|
10TC
Structure of WDR5 bound to RbBP5 (D376N)
Deposited 2026-02-07
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
31–334(304 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.15 M Ammonium citrate, 18% PEG3350
|
Resolution 2.20 Å
R-free 0.243
|
|
10TC
Structure of WDR5 bound to RbBP5 (D376N)
Deposited 2026-02-07
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain E
31–334(304 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.15 M Ammonium citrate, 18% PEG3350
|
Resolution 2.20 Å
R-free 0.243
|
|
10TC
Structure of WDR5 bound to RbBP5 (D376N)
Deposited 2026-02-07
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain G
31–334(304 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.15 M Ammonium citrate, 18% PEG3350
|
Resolution 2.20 Å
R-free 0.243
|
|
24XN
Structure of WDR5 F263A variant in complex with MBD3C
Deposited 2026-03-23
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;289 K;0.15 ammonium sulfate, 0.1 M sodium HEPES, pH7.0, 20% w/v PEG 4000
|
Resolution 1.57 Å
R-free 0.212
|
|
24XN
Structure of WDR5 F263A variant in complex with MBD3C
Deposited 2026-03-23
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;289 K;0.15 ammonium sulfate, 0.1 M sodium HEPES, pH7.0, 20% w/v PEG 4000
|
Resolution 1.57 Å
R-free 0.212
|
|
24XP
Crystal structure of WDR5 F133A variant in complex with MBD3C
Deposited 2026-03-23
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;289 K;0.1 M sodium acetate (pH 5.0), 20% (w/v) PEG 4000
|
Resolution 1.30 Å
R-free 0.180
|
|
24XP
Crystal structure of WDR5 F133A variant in complex with MBD3C
Deposited 2026-03-23
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;289 K;0.1 M sodium acetate (pH 5.0), 20% (w/v) PEG 4000
|
Resolution 1.30 Å
R-free 0.180
|
|
2CNX
WDR5 and Histone H3 Lysine 4 dimethyl complex at 2.1 angstrom
Deposited 2006-05-25
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
20–334(315 aa)
Fragment:RESIDUES 20-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.10 Å
R-free 0.223
|
|
2CO0
WDR5 and unmodified Histone H3 complex at 2.25 Angstrom
Deposited 2006-05-25
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
20–334(315 aa)
Fragment:RESIDUES 20-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.25 Å
R-free 0.226
|
|
2CO0
WDR5 and unmodified Histone H3 complex at 2.25 Angstrom
Deposited 2006-05-25
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
20–334(315 aa)
Fragment:RESIDUES 20-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.25 Å
R-free 0.226
|
|
2G99
Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
Deposited 2006-03-06
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
27–334(308 aa)
Fragment:residues 27-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;298 K;20% PEG 4000, 10% isopropanol, 0.1M HEPES, pH7.5 , VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.90 Å
R-free 0.243
|
|
2G99
Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
Deposited 2006-03-06
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
27–334(308 aa)
Fragment:residues 27-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;298 K;20% PEG 4000, 10% isopropanol, 0.1M HEPES, pH7.5 , VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.90 Å
R-free 0.243
|
|
2G9A
Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
Deposited 2006-03-06
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
29–334(306 aa)
Fragment:;'residues 24-334
;
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;298 K;20% PEG, 0.2M ammonium acetate, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.70 Å
R-free 0.286
|
|
2GNQ
Structure of wdr5
Deposited 2006-04-10
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1–334(334 aa)
|
Not recorded
|
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;300 K;20%peg5k mme, bis-tris 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
Resolution 1.80 Å
R-free 0.192
|
|
2H13
Crystal structure of WDR5/histone H3 complex
Deposited 2006-05-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
Fragment:Residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;20-30% PEG3350, 0.1 M HEPES, pH 7.5, 0.05 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.58 Å
R-free 0.200
|
|
2H14
Crystal of WDR5 (apo-form)
Deposited 2006-05-15
|
Different construct
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
Fragment:Residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;20-30% PEG 3350
0.1M Hepes
0.05M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.48 Å
R-free 0.197
|
|
2H68
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Deposited 2006-05-30
|
Different construct
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
23–334(312 aa)
Fragment:residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
Crystals were grown by hanging drop vapour equilibration in Nextal plates as follows: 1 ul of 10 15 mg ml-1 protein solution (10 mM Tris HCl (pH 7.4), 50 mM NaCl, and 10 mM 2-mercaptoethanol) were mixed with 1 ul of well solution composed of 50 mM HEPES (pH 7.5), 100 mM potassium formate, and 10-20% (w/v) polyethylene glycol 3350 and equilibrated at room temperature overnight against 1 ml of well solution.
|
Resolution 1.79 Å
R-free 0.192
|
|
2H68
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Deposited 2006-05-30
|
Different construct
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
23–334(312 aa)
Fragment:residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
Crystals were grown by hanging drop vapour equilibration in Nextal plates as follows: 1 ul of 10 15 mg ml-1 protein solution (10 mM Tris HCl (pH 7.4), 50 mM NaCl, and 10 mM 2-mercaptoethanol) were mixed with 1 ul of well solution composed of 50 mM HEPES (pH 7.5), 100 mM potassium formate, and 10-20% (w/v) polyethylene glycol 3350 and equilibrated at room temperature overnight against 1 ml of well solution.
|
Resolution 1.79 Å
R-free 0.192
|
|
2H6K
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Deposited 2006-05-31
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
Crystals were grown by hanging drop vapour equilibration in Nextal plates as follows: 1 ul of 10 15 mg ml-1 protein solution (10 mM Tris, HCl (pH 7.4), 50 mM NaCl, and 10 mM 2-mercaptoethanol) were mixed with 1 ul of well solution composed of 50 mM HEPES (pH 7.5), 100 mM potassium formate, and 10-20% (w/v) polyethylene glycol 3350 and equilibrated at room temperature overnight against 1 ml of well solution.
|
Resolution 1.89 Å
R-free 0.190
|
|
2H6K
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Deposited 2006-05-31
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
23–334(312 aa)
Fragment:residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
Crystals were grown by hanging drop vapour equilibration in Nextal plates as follows: 1 ul of 10 15 mg ml-1 protein solution (10 mM Tris, HCl (pH 7.4), 50 mM NaCl, and 10 mM 2-mercaptoethanol) were mixed with 1 ul of well solution composed of 50 mM HEPES (pH 7.5), 100 mM potassium formate, and 10-20% (w/v) polyethylene glycol 3350 and equilibrated at room temperature overnight against 1 ml of well solution.
|
Resolution 1.89 Å
R-free 0.190
|
|
2H6N
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Deposited 2006-05-31
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
Crystals were grown by hanging drop vapour equilibration in Nextal plates as follows: 1 ul of 10 15 mg ml-1 protein solution (10 mM Tris HCl (pH 7.4), 50 mM NaCl, and 10 mM 2-mercaptoethanol) were mixed with 1 ul of well solution composed of 50 mM HEPES (pH 7.5), 100 mM potassium formate, and 10-20% (w/v) polyethylene glycol 3350 and equilibrated at room temperature overnight against 1 ml of well solution.
|
Resolution 1.50 Å
R-free 0.198
|
|
2H6N
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Deposited 2006-05-31
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
23–334(312 aa)
Fragment:residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
Crystals were grown by hanging drop vapour equilibration in Nextal plates as follows: 1 ul of 10 15 mg ml-1 protein solution (10 mM Tris HCl (pH 7.4), 50 mM NaCl, and 10 mM 2-mercaptoethanol) were mixed with 1 ul of well solution composed of 50 mM HEPES (pH 7.5), 100 mM potassium formate, and 10-20% (w/v) polyethylene glycol 3350 and equilibrated at room temperature overnight against 1 ml of well solution.
|
Resolution 1.50 Å
R-free 0.198
|
|
2H6Q
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Deposited 2006-06-01
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
Crystals were grown by hanging drop vapour equilibration in Nextal plates as follows: 1 ul of 10 15 mg ml-1 protein solution (10 mM Tris HCl (pH 7.4), 50 mM NaCl, and 10 mM 2-mercaptoethanol) were mixed with 1 ul of well solution composed of 50 mM HEPES (pH 7.5), 100 mM potassium formate, and 10-20% (w/v) polyethylene glycol 3350 and equilibrated at room temperature overnight against 1 ml of well solution.
|
Resolution 1.87 Å
R-free 0.185
|
|
2H6Q
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Deposited 2006-06-01
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
23–334(312 aa)
Fragment:residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
Crystals were grown by hanging drop vapour equilibration in Nextal plates as follows: 1 ul of 10 15 mg ml-1 protein solution (10 mM Tris HCl (pH 7.4), 50 mM NaCl, and 10 mM 2-mercaptoethanol) were mixed with 1 ul of well solution composed of 50 mM HEPES (pH 7.5), 100 mM potassium formate, and 10-20% (w/v) polyethylene glycol 3350 and equilibrated at room temperature overnight against 1 ml of well solution.
|
Resolution 1.87 Å
R-free 0.185
|
|
2H9L
WDR5delta23
Deposited 2006-06-10
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
SO4 SULFATE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;300 K;20% PEG 5000 MME, 0.1M Bis-Tris 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
Resolution 1.75 Å
R-free 0.201
|
|
2H9M
WDR5 in complex with unmodified H3K4 peptide
Deposited 2006-06-10
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;300 K;20% PEG 3350, 0.2M di-Na Tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.90 Å
R-free 0.257
|
|
2H9M
WDR5 in complex with unmodified H3K4 peptide
Deposited 2006-06-10
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;300 K;20% PEG 3350, 0.2M di-Na Tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.90 Å
R-free 0.257
|
|
2H9N
WDR5 in complex with monomethylated H3K4 peptide
Deposited 2006-06-10
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;20% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.00 Å
R-free 0.279
|
|
2H9N
WDR5 in complex with monomethylated H3K4 peptide
Deposited 2006-06-10
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;20% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.00 Å
R-free 0.279
|
|
2H9P
WDR5 in complex with trimethylated H3K4 peptide
Deposited 2006-06-10
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.6;300 K;30% PEG4000, 0.2M Ammonium Acetate and 0.1M Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.91 Å
R-free 0.203
|
|
2O9K
WDR5 in Complex with Dimethylated H3K4 Peptide
Deposited 2006-12-13
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;300 K;20% PEG 5000 MME, 0.1M BIS-TRIS, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 300K, pH 6.50
|
Resolution 1.90 Å
R-free 0.226
|
|
2O9K
WDR5 in Complex with Dimethylated H3K4 Peptide
Deposited 2006-12-13
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;300 K;20% PEG 5000 MME, 0.1M BIS-TRIS, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 300K, pH 6.50
|
Resolution 1.90 Å
R-free 0.226
|
|
3EG6
Structure of WDR5 bound to MLL1 peptide
Deposited 2008-09-10
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:WD-repeat domain (UNP residues 23-334)
|
Not recorded
|
SO4 SULFATE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5;298 K;30% PEG 3350, 30 mM (NH4)2SO4, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.72 Å
R-free 0.240
|
|
3EMH
Structural basis of WDR5-MLL interaction
Deposited 2008-09-24
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
25–334(310 aa)
Fragment:UNP residues 25-334
|
Not recorded
|
SO4 SULFATE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;20 mM HEPES, 15-20% PEG 3350, 60mM Ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.37 Å
R-free 0.200
|
|
3MXX
Crystal structure of WDR5 mutant (S62A)
Deposited 2010-05-08
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
Fragment:RESIDUES 31-334
|
Mutation:S62A
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;18% PEG 3350, 0.1M Hepes, 18mM (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.05 Å
R-free 0.239
|
|
3N0D
Crystal structure of WDR5 mutant (W330F)
Deposited 2010-05-13
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
Fragment:RESIDUES 31-334
|
Mutation:W330F
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;18% PEG 3350, 0.1M Hepes, 14mM (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å
R-free 0.233
|
|
3N0E
Crystal structure of WDR5 mutant (W330Y)
Deposited 2010-05-13
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
Fragment:RESIDUES 31-334
|
Mutation:W330Y
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;18% PEG 3350, 0.1M Hepes, 14mM (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å
R-free 0.323
|
|
3P4F
Structural and biochemical insights into MLL1 core complex assembly and regulation.
Deposited 2010-10-06
|
Different construct
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
22–334(313 aa)
Fragment:unp residues 1-308
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7;0.2 M ammonium citrate (buffered with hydrochloric acid/sodium hydroxide to pH 7.0) and 18% PEG3350, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.35 Å
R-free 0.249
|
|
3PSL
Fine-tuning the stimulation of MLL1 methyltransferase activity by a histone H3 based peptide mimetic
Deposited 2010-12-01
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
21–334(314 aa)
Fragment:WDR5 (unp residues 21-334)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;50 mM NaAcetate, 100 mM NH4 SO4 , and 20% PEG4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.70 Å
R-free 0.205
|
|
3PSL
Fine-tuning the stimulation of MLL1 methyltransferase activity by a histone H3 based peptide mimetic
Deposited 2010-12-01
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
21–334(314 aa)
Fragment:WDR5 (unp residues 21-334)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;50 mM NaAcetate, 100 mM NH4 SO4 , and 20% PEG4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.70 Å
R-free 0.205
|
|
3SMR
Crystal structure of human WD repeat domain 5 with compound
Deposited 2011-06-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
NP7 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 8
UNX UNKNOWN LIGAND × 7
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;297 K;24% PEG3350,9.2M NH4 Acetate, 0.1 Bis Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
|
Resolution 1.82 Å
R-free 0.206
|
|
3SMR
Crystal structure of human WD repeat domain 5 with compound
Deposited 2011-06-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
NP7 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 6
UNX UNKNOWN LIGAND × 10
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;297 K;24% PEG3350,9.2M NH4 Acetate, 0.1 Bis Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
|
Resolution 1.82 Å
R-free 0.206
|
|
3SMR
Crystal structure of human WD repeat domain 5 with compound
Deposited 2011-06-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
24–334(311 aa)
|
Not recorded
|
NP7 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 5
UNX UNKNOWN LIGAND × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;297 K;24% PEG3350,9.2M NH4 Acetate, 0.1 Bis Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
|
Resolution 1.82 Å
R-free 0.206
|
|
3SMR
Crystal structure of human WD repeat domain 5 with compound
Deposited 2011-06-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
24–334(311 aa)
|
Not recorded
|
NP7 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 4
UNX UNKNOWN LIGAND × 9
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;297 K;24% PEG3350,9.2M NH4 Acetate, 0.1 Bis Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
|
Resolution 1.82 Å
R-free 0.206
|
|
3UR4
Crystal structure of human WD repeat domain 5 with compound
Deposited 2011-11-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
0BW methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate × 1
EDO 1,2-ETHANEDIOL × 2
CL CHLORIDE ION × 4
SO4 SULFATE ION × 2
UNX UNKNOWN LIGAND × 17
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;297 K;22% PEG 3350,0.1M A.S. ,0.1M Bis Tris pH 6.0
, VAPOR DIFFUSION, SITTING DROP, temperature 297K
|
Resolution 1.80 Å
R-free 0.213
|
|
3UR4
Crystal structure of human WD repeat domain 5 with compound
Deposited 2011-11-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
0BW methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate × 1
EDO 1,2-ETHANEDIOL × 6
CL CHLORIDE ION × 2
SO4 SULFATE ION × 1
UNX UNKNOWN LIGAND × 12
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;297 K;22% PEG 3350,0.1M A.S. ,0.1M Bis Tris pH 6.0
, VAPOR DIFFUSION, SITTING DROP, temperature 297K
|
Resolution 1.80 Å
R-free 0.213
|
|
3UVK
Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL2
Deposited 2011-11-30
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
21–334(314 aa)
Fragment:UNP residues 21-334
|
Not recorded
|
BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.5;323 K;0.1 M ammonium sulfate, 24% PEG3350, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 323K
|
Resolution 1.40 Å
R-free 0.192
|
|
3UVL
Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL3
Deposited 2011-11-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
21–334(314 aa)
Fragment:UNP residues 21-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;323 K;0.1 M ammonium acetate, 25% PEG3350, 0.1 M Bis-Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 323K
|
Resolution 2.20 Å
R-free 0.220
|
|
3UVM
Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL4
Deposited 2011-11-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
21–334(314 aa)
Fragment:UNP residues 21-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;0.1 M ammonium sulfate, 25% PEG3350, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.57 Å
R-free 0.198
|
|
3UVN
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A
Deposited 2011-11-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
21–334(314 aa)
Fragment:UNP residues 21-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.5;298 K;25% PEG3350, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.79 Å
R-free 0.230
|
|
3UVN
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A
Deposited 2011-11-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
21–334(314 aa)
Fragment:UNP residues 21-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.5;298 K;25% PEG3350, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.79 Å
R-free 0.230
|
|
3UVO
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1B
Deposited 2011-11-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
21–334(314 aa)
Fragment:UNP residues 21-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;0.1 M ammonium sulfate, 25% PEG3350, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å
R-free 0.219
|
|
4A7J
Symmetric Dimethylation of H3 Arginine 2 is a Novel Histone Mark that Supports Euchromatin Maintenance
Deposited 2011-11-14
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
21–334(314 aa)
Fragment:RESIDUES 21-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5;0.1 M HEPES PH 7.5; 60 MM AMMONIUM SULPHATE; 30% PEG 3350
|
Resolution 1.90 Å
R-free 0.222
|
|
4CY1
Crystal structure of the KANSL1-WDR5 complex.
Deposited 2014-04-09
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:RESIDUES 23-334
|
Not recorded
|
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;26% (W/V) PEG 3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS, PH 6.5.
|
Resolution 1.50 Å
R-free 0.183
|
|
4CY1
Crystal structure of the KANSL1-WDR5 complex.
Deposited 2014-04-09
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
23–334(312 aa)
Fragment:RESIDUES 23-334
|
Not recorded
|
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;26% (W/V) PEG 3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS, PH 6.5.
|
Resolution 1.50 Å
R-free 0.183
|
|
4CY2
Crystal structure of the KANSL1-WDR5-KANSL2 complex.
Deposited 2014-04-09
|
Different construct
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
23–334(312 aa)
Fragment:RESIDUES 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.9;20% (W/V) PEG 3350, 0.2 M POTASSIUM NITRATE, PH 6.9.
|
Resolution 2.00 Å
R-free 0.222
|
|
4ERQ
X-ray structure of WDR5-MLL2 Win motif peptide binary complex
Deposited 2012-04-20
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.3;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.3, hanging drop, temperature 294K
|
Resolution 1.91 Å
R-free 0.200
|
|
4ERQ
X-ray structure of WDR5-MLL2 Win motif peptide binary complex
Deposited 2012-04-20
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.3;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.3, hanging drop, temperature 294K
|
Resolution 1.91 Å
R-free 0.200
|
|
4ERQ
X-ray structure of WDR5-MLL2 Win motif peptide binary complex
Deposited 2012-04-20
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.3;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.3, hanging drop, temperature 294K
|
Resolution 1.91 Å
R-free 0.200
|
|
4ERY
X-ray structure of WDR5-MLL3 Win motif peptide binary complex
Deposited 2012-04-21
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.5;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.5, hanging drop, temperature 294K
|
Resolution 1.30 Å
R-free 0.209
|
|
4ERZ
X-ray structure of WDR5-MLL4 Win motif peptide binary complex
Deposited 2012-04-21
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.6;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.6, hanging drop, temperature 294K
|
Resolution 1.75 Å
R-free 0.216
|
|
4ERZ
X-ray structure of WDR5-MLL4 Win motif peptide binary complex
Deposited 2012-04-21
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.6;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.6, hanging drop, temperature 294K
|
Resolution 1.75 Å
R-free 0.216
|
|
4ERZ
X-ray structure of WDR5-MLL4 Win motif peptide binary complex
Deposited 2012-04-21
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.6;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.6, hanging drop, temperature 294K
|
Resolution 1.75 Å
R-free 0.216
|
|
4ES0
X-ray structure of WDR5-SETd1b Win motif peptide binary complex
Deposited 2012-04-21
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.6;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.6, hanging drop, temperature 294K
|
Resolution 1.82 Å
R-free 0.242
|
|
4ESG
X-ray structure of WDR5-MLL1 Win motif peptide binary complex
Deposited 2012-04-23
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.2;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.2, hanging drop, temperature 294K
|
Resolution 1.70 Å
R-free 0.193
|
|
4ESG
X-ray structure of WDR5-MLL1 Win motif peptide binary complex
Deposited 2012-04-23
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.2;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.2, hanging drop, temperature 294K
|
Resolution 1.70 Å
R-free 0.193
|
|
4EWR
X-ray structure of WDR5-SETd1a Win motif peptide binary complex
Deposited 2012-04-27
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 7.6;294 K;PEG3350, Ammonium Sulfate, HEPES, pH 7.6, hanging drop, temperature 294K
|
Resolution 1.50 Å
R-free 0.198
|
|
4GM3
Crystal structure of human WD repeat domain 5 with compound MM-101
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;25% PEG4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.39 Å
R-free 0.226
|
|
4GM3
Crystal structure of human WD repeat domain 5 with compound MM-101
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;25% PEG4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.39 Å
R-free 0.226
|
|
4GM3
Crystal structure of human WD repeat domain 5 with compound MM-101
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;25% PEG4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.39 Å
R-free 0.226
|
|
4GM3
Crystal structure of human WD repeat domain 5 with compound MM-101
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain D
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;25% PEG4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.39 Å
R-free 0.226
|
|
4GM3
Crystal structure of human WD repeat domain 5 with compound MM-101
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 5
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain E
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;25% PEG4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.39 Å
R-free 0.226
|
|
4GM3
Crystal structure of human WD repeat domain 5 with compound MM-101
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 6
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain F
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;25% PEG4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.39 Å
R-free 0.226
|
|
4GM3
Crystal structure of human WD repeat domain 5 with compound MM-101
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 7
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain G
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;25% PEG4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.39 Å
R-free 0.226
|
|
4GM3
Crystal structure of human WD repeat domain 5 with compound MM-101
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 8
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain H
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 4.6;293 K;25% PEG4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.39 Å
R-free 0.226
|
|
4GM8
Crystal structure of human WD repeat domain 5 with compound MM-102
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8;293 K;30% PEG8000, 0.2 M ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å
R-free 0.249
|
|
4GM8
Crystal structure of human WD repeat domain 5 with compound MM-102
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8;293 K;30% PEG8000, 0.2 M ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å
R-free 0.249
|
|
4GM8
Crystal structure of human WD repeat domain 5 with compound MM-102
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8;293 K;30% PEG8000, 0.2 M ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å
R-free 0.249
|
|
4GM8
Crystal structure of human WD repeat domain 5 with compound MM-102
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain D
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8;293 K;30% PEG8000, 0.2 M ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å
R-free 0.249
|
|
4GM9
Crystal structure of human WD repeat domain 5 with compound MM-401
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;293 K;30% PEG4000, 0.2 M magnesium chloride, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.00K
|
Resolution 2.10 Å
R-free 0.208
|
|
4GM9
Crystal structure of human WD repeat domain 5 with compound MM-401
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;293 K;30% PEG4000, 0.2 M magnesium chloride, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.00K
|
Resolution 2.10 Å
R-free 0.208
|
|
4GMB
Crystal structure of human WD repeat domain 5 with compound MM-402
Deposited 2012-08-15
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
Fragment:UNP residues 22-334
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;25% tert-butanol, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.78 Å
R-free 0.247
|
|
4IA9
Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
Deposited 2012-12-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
IA9 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 2
UNX UNKNOWN LIGAND × 24
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5;291 K;25% PEH 3500, 0.1 M Ammonium sulfate, 0.1 M BisTris pH5.5, vapor diffusion hanging drop, temperature 291K
|
Resolution 1.66 Å
R-free 0.210
|
|
4O45
WDR5 in complex with influenza NS1 C-terminal tail
Deposited 2013-12-18
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
Fragment:UNP residues 24-334
|
Not recorded
|
UNX UNKNOWN LIGAND × 17
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;291 K;25% PEG3350, 0.1 M ammonium sulfate, 0.1 M bis-tris, pH 6.5, temperature 291K
|
Resolution 1.87 Å
R-free 0.212
|
|
4QL1
Crystal structure of human WDR5 in complex with compound OICR-9429
Deposited 2014-06-10
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
35Q N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide × 1
UNX UNKNOWN LIGAND × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;291 K;25% PEG 3350, 0.2 M NH4oAC, 0.1 M BisTris pH6.5, vapor diffusion hanging drop, temperature 291K
|
Resolution 1.50 Å
R-free 0.227
|
|
4QL1
Crystal structure of human WDR5 in complex with compound OICR-9429
Deposited 2014-06-10
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
35Q N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide × 1
UNX UNKNOWN LIGAND × 1
EDO 1,2-ETHANEDIOL × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;291 K;25% PEG 3350, 0.2 M NH4oAC, 0.1 M BisTris pH6.5, vapor diffusion hanging drop, temperature 291K
|
Resolution 1.50 Å
R-free 0.227
|
|
4QQE
Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
Deposited 2014-06-27
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
Fragment:UNP residues 24-334
|
Not recorded
|
37F N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide × 1
CL CHLORIDE ION × 1
EDO 1,2-ETHANEDIOL × 3
UNX UNKNOWN LIGAND × 7
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;291 K;22% PEG3350, 0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å
R-free 0.218
|
|
4Y7R
Crystal structure of WDR5 in complex with MYC MbIIIb peptide
Deposited 2015-02-16
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7;291 K;0.1 M Tris 7.0, 25% PEG 8K
|
Resolution 1.90 Å
R-free 0.188
|
|
5EAL
Crystal structure of human WDR5 in complex with compound 9h
Deposited 2015-10-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
5ML 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide × 1
GOL GLYCEROL × 1
CL CHLORIDE ION × 1
EDO 1,2-ETHANEDIOL × 8
UNX UNKNOWN LIGAND × 13
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;291 K;20% PEG 5K MME, 0.1 M BisTris pH6.5
|
Resolution 1.80 Å
R-free 0.211
|
|
5EAL
Crystal structure of human WDR5 in complex with compound 9h
Deposited 2015-10-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
5ML 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 9
UNX UNKNOWN LIGAND × 11
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;291 K;20% PEG 5K MME, 0.1 M BisTris pH6.5
|
Resolution 1.80 Å
R-free 0.211
|
|
5EAM
Crystal structure of human WDR5 in complex with compound 9o
Deposited 2015-10-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
5MN ~{N}-[5-(1~{H}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide × 1
EDO 1,2-ETHANEDIOL × 1
UNX UNKNOWN LIGAND × 11
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;291 K;25% PEG3350, 0.1M NH4SO4, 0.1 M BisTris pH6.5
|
Resolution 1.80 Å
R-free 0.228
|
|
5EAM
Crystal structure of human WDR5 in complex with compound 9o
Deposited 2015-10-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
5MN ~{N}-[5-(1~{H}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide × 1
EDO 1,2-ETHANEDIOL × 4
UNX UNKNOWN LIGAND × 14
SO4 SULFATE ION × 1
BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;291 K;25% PEG3350, 0.1M NH4SO4, 0.1 M BisTris pH6.5
|
Resolution 1.80 Å
R-free 0.228
|
|
5EAP
Crystal structure of human WDR5 in complex with compound 9e
Deposited 2015-10-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
5MO N-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide × 1
GOL GLYCEROL × 1
CL CHLORIDE ION × 1
EDO 1,2-ETHANEDIOL × 5
UNX UNKNOWN LIGAND × 14
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;291 K;28% PEG 2K MME, 0.1 M BisTris pH6.5
|
Resolution 1.73 Å
R-free 0.241
|
|
5EAR
Crystal structure of human WDR5 in complex with compound 9d
Deposited 2015-10-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
5MQ N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide × 1
EDO 1,2-ETHANEDIOL × 9
UNX UNKNOWN LIGAND × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.5;291 K;22% PEG 3350, 0.1M NH4SO4, 0.1 M BisTris pH5.5
|
Resolution 1.80 Å
R-free 0.185
|
|
5EAR
Crystal structure of human WDR5 in complex with compound 9d
Deposited 2015-10-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
5MQ N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide × 1
EDO 1,2-ETHANEDIOL × 10
UNX UNKNOWN LIGAND × 2
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.5;291 K;22% PEG 3350, 0.1M NH4SO4, 0.1 M BisTris pH5.5
|
Resolution 1.80 Å
R-free 0.185
|
|
5M23
Modulation of MLL1 Methyltransferase Activity
Deposited 2016-10-11
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
7DC 4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.02 M carboxylic acid 0.1 M bicine/Trizma base pH 8.5
|
Resolution 1.97 Å
R-free 0.214
|
|
5M25
Modulation of MLL1 Methyltransferase Activity
Deposited 2016-10-11
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
7DU (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.02 M carboxylic acid 0.1 M bicine/Trizma base pH 8.5
|
Resolution 2.43 Å
R-free 0.248
|
|
5SXM
WDR5 in complex with MLL Win motif peptidomimetic
Deposited 2016-08-09
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
23–334(312 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.6;293 K;0.1M sodium citrate pH 5.6, 15% 2-propanol, and 17% PEG 4000, and 10mM ATP
|
Resolution 2.00 Å
R-free 0.243
|
|
5SXM
WDR5 in complex with MLL Win motif peptidomimetic
Deposited 2016-08-09
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
23–334(312 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.6;293 K;0.1M sodium citrate pH 5.6, 15% 2-propanol, and 17% PEG 4000, and 10mM ATP
|
Resolution 2.00 Å
R-free 0.243
|
|
5VFC
WDR5 bound to inhibitor MM-589
Deposited 2017-04-07
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
9BA N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide × 1
SO4 SULFATE ION × 1
EDO 1,2-ETHANEDIOL × 7
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M Na Bis-Tris pH 6.5, 26% PEG 8000 and 0.1 M ammonium sulfate
|
Resolution 1.64 Å
R-free 0.174
|
|
6BYN
Crystal structure of WDR5-Mb(S4) monobody complex
Deposited 2017-12-21
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain W
31–334(304 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.5;293 K;28% PEG3350, 0.1 M BisTris pH 5.5
|
Resolution 2.69 Å
R-free 0.248
|
|
6D9X
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Deposited 2018-04-30
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
NA SODIUM ION × 1
FZM 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.83 Å
R-free 0.241
|
|
6DAI
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Deposited 2018-05-01
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
DMS DIMETHYL SULFOXIDE × 2
G2V 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.63 Å
R-free 0.186
|
|
6DAK
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Deposited 2018-05-01
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
G1Y N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide × 1
DMS DIMETHYL SULFOXIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.60 Å
R-free 0.188
|
|
6DAR
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Deposited 2018-05-01
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
G2J N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide × 1
SO4 SULFATE ION × 2
DMS DIMETHYL SULFOXIDE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.88 Å
R-free 0.195
|
|
6DAS
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Deposited 2018-05-01
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
G2D N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.80 Å
R-free 0.222
|
|
6DAS
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Deposited 2018-05-01
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
G2D N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.80 Å
R-free 0.222
|
|
6DY7
WDR5 in complex with a WIN site inhibitor
Deposited 2018-07-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
HH7 N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine × 1
DMS DIMETHYL SULFOXIDE × 1
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.90 Å
R-free 0.199
|
|
6DYA
WDR5 in complex with a WIN site inhibitor
Deposited 2018-07-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
30–334(305 aa)
|
Not recorded
|
HHM N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide × 1
SO4 SULFATE ION × 1
DMS DIMETHYL SULFOXIDE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 2.56 Å
R-free 0.230
|
|
6E1Y
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Deposited 2018-07-10
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
HLM N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;0.1 M Bis-Tris pH 6.0 or Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.22 Å
R-free 0.182
|
|
6E1Y
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Deposited 2018-07-10
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
HLM N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;0.1 M Bis-Tris pH 6.0 or Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.22 Å
R-free 0.182
|
|
6E1Z
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Deposited 2018-07-10
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
HLP 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;0.1 M Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.10 Å
R-free 0.163
|
|
6E1Z
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Deposited 2018-07-10
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
HLP 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;0.1 M Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.10 Å
R-free 0.163
|
|
6E22
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Deposited 2018-07-10
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
HLS 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide × 1
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Bis-Tris pH 6.0 or Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.60 Å
R-free 0.180
|
|
6E22
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Deposited 2018-07-10
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
HLS 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide × 1
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Bis-Tris pH 6.0 or Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.60 Å
R-free 0.180
|
|
6E23
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Deposited 2018-07-10
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
HLJ N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Bis-Tris pH 6.0 or Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.66 Å
R-free 0.209
|
|
6E23
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Deposited 2018-07-10
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
HLJ N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide × 1
EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Bis-Tris pH 6.0 or Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350
|
Resolution 1.66 Å
R-free 0.209
|
|
6IAM
Modulating Protein-Protein Interactions with Visible Light Peptide Backbone Switches
Deposited 2018-11-27
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
29–334(306 aa)
|
Not recorded
|
K POTASSIUM ION × 3
NA SODIUM ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277.15 K;10% (w/v) PEG20000, 20% (v/v) PEG550 MME, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate
|
Resolution 1.51 Å
R-free 0.170
|
|
6KIU
Cryo-EM structure of human MLL1-ubNCP complex (3.2 angstrom)
Deposited 2019-07-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 13
PDB declaration: pentadecameric
|
Chain R
1–334(334 aa)
|
Not recorded
|
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
ZN ZINC ION × 1
LYS LYSINE × 1
GLN GLUTAMINE × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å
|
|
6KIV
Cryo-EM structure of human MLL1-ubNCP complex (4.0 angstrom)
Deposited 2019-07-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 13
PDB declaration: pentadecameric
|
Chain R
1–334(334 aa)
|
Not recorded
|
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
ZN ZINC ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.00 Å
|
|
6KIW
Cryo-EM structure of human MLL3-ubNCP complex (4.0 angstrom)
Deposited 2019-07-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 13
PDB declaration: pentadecameric
|
Chain R
1–334(334 aa)
|
Not recorded
|
ZN ZINC ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.00 Å
|
|
6KIX
Cryo-EM structure of human MLL1-NCP complex, binding mode1
Deposited 2019-07-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 12
PDB declaration: tetradecameric
|
Chain R
1–334(334 aa)
|
Not recorded
|
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
ZN ZINC ION × 1
LYS LYSINE × 1
GLN GLUTAMINE × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.10 Å
|
|
6KIZ
Cryo-EM structure of human MLL1-NCP complex, binding mode2
Deposited 2019-07-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 12
PDB declaration: tetradecameric
|
Chain R
1–334(334 aa)
|
Not recorded
|
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
ZN ZINC ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.50 Å
|
|
6OFZ
Crystal structure of human WDR5
Deposited 2019-04-01
|
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.9;295 K;100 mM Bis-Tris pH5.9, 32% PEG3350,
54.6 mM Ammonium Sulfate
|
Resolution 1.85 Å
R-free 0.250
|
|
6OI0
Crystal structure of human WDR5 in complex with L-arginine
Deposited 2019-04-08
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
ARG ARGININE × 1
SO4 SULFATE ION × 2
GOL GLYCEROL × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.9;295 K;100 mM Bis-Tris pH 5.9; 32% PEG3350, 54.6 mM Ammonium Sulfate, 0.66 mM L-arginine
|
Resolution 1.92 Å
R-free 0.201
|
|
6OI1
Crystal structure of human WDR5 in complex with monomethyl L-arginine
Deposited 2019-04-08
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
SO4 SULFATE ION × 1
GOL GLYCEROL × 2
NMM (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.9;295 K;100mM Bis-Tris pH 5.9, 32% PEG3350,
54.6 mM Ammonium Sulfate, 0.66 mM monomethyl L-arginine
|
Resolution 1.68 Å
R-free 0.236
|
|
6OI2
Crystal structure of human WDR5 in complex with symmetric dimethyl-L-arginine
Deposited 2019-04-08
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
SO4 SULFATE ION × 3
GOL GLYCEROL × 3
2MR N3, N4-DIMETHYLARGININE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.9;295 K;100 mM Bis-Tris pH5.9, 32% PEG3350,
54.6 mM Ammonium Sulfate, 0.66 mM symmetric dimethyl-L-arginine
|
Resolution 1.68 Å
R-free 0.223
|
|
6OI3
Crystal structure of human WDR5 in complex with monomethyl H3R2 peptide
Deposited 2019-04-08
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
GOL GLYCEROL × 3
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.9;295 K;100 mM Bis-Tris pH 5.9, 32% PEG3350, 54.6 mM Ammonium Sulfate, 1.67 mM monomethyl H3R2 peptide
|
Resolution 1.66 Å
R-free 0.202
|
|
6PG3
WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
OHJ (2-butyl-1H-imidazol-4-yl)methanol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.182 M ammonium fluoride, 0.1 M sodium cacodylate (pH 5.79), 22.1 %w/v PEG8000
|
Resolution 2.04 Å
R-free 0.206
|
|
6PG3
WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
OHJ (2-butyl-1H-imidazol-4-yl)methanol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.182 M ammonium fluoride, 0.1 M sodium cacodylate (pH 5.79), 22.1 %w/v PEG8000
|
Resolution 2.04 Å
R-free 0.206
|
|
6PG4
WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol
Deposited 2019-06-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
|
Not recorded
|
OHG (2-methyl-1H-imidazol-4-yl)methanol × 1
SO4 SULFATE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.114 M ammonium sulfate, 0.1 M bis-tris chloride (pH 6.11), 25.8 %w/v PEG8000
|
Resolution 1.60 Å
R-free 0.176
|
|
6PG5
WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Deposited 2019-06-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
|
Not recorded
|
OHV benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate × 1
SO4 SULFATE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.215 M ammonium sulfate, 0.1 M sodium cacodylate (pH 7.06), 25.6 %w/v PEG8000
|
Resolution 1.99 Å
R-free 0.202
|
|
6PG6
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acetamide
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
SO4 SULFATE ION × 1
OH7 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide × 1
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.215 M ammonium sulfate, 0.1 M sodium cacodylate (pH 7.06), 25.6 %w/v PEG8000
|
Resolution 1.68 Å
R-free 0.193
|
|
6PG6
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acetamide
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
SO4 SULFATE ION × 1
OH7 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.215 M ammonium sulfate, 0.1 M sodium cacodylate (pH 7.06), 25.6 %w/v PEG8000
|
Resolution 1.68 Å
R-free 0.193
|
|
6PG7
WDR5delta32 bound to (2-(3-methoxy-3-phenylpropyl)-1H-imidazol-4-yl)methanol
Deposited 2019-06-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
|
Not recorded
|
OH4 {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol × 1
PEG DI(HYDROXYETHYL)ETHER × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.17 M ammonium sulfate, 0.1 bis-tris chloride (pH 6.3), 30.5 %w/v PEG4000
|
Resolution 2.45 Å
R-free 0.243
|
|
6PG8
WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
OGY [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol × 1
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.179 M ammonium sulfate, 0.1 M bis-tris chloride (pH 5.62), 28.6 %w/v PEG3350
|
Resolution 1.67 Å
R-free 0.207
|
|
6PG8
WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
OGY [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol × 1
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.179 M ammonium sulfate, 0.1 M bis-tris chloride (pH 5.62), 28.6 %w/v PEG3350
|
Resolution 1.67 Å
R-free 0.207
|
|
6PG8
WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
22–334(313 aa)
|
Not recorded
|
OGY [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol × 1
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.179 M ammonium sulfate, 0.1 M bis-tris chloride (pH 5.62), 28.6 %w/v PEG3350
|
Resolution 1.67 Å
R-free 0.207
|
|
6PG8
WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
22–334(313 aa)
|
Not recorded
|
OGY [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol × 1
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.179 M ammonium sulfate, 0.1 M bis-tris chloride (pH 5.62), 28.6 %w/v PEG3350
|
Resolution 1.67 Å
R-free 0.207
|
|
6PG9
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
OH1 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.182 M ammonium fluoride, 0.1 soidum cacodylate (pH 5.79), 22.1 %w/v PEG8000
|
Resolution 1.75 Å
R-free 0.269
|
|
6PG9
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide
Deposited 2019-06-24
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
OH1 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.182 M ammonium fluoride, 0.1 soidum cacodylate (pH 5.79), 22.1 %w/v PEG8000
|
Resolution 1.75 Å
R-free 0.269
|
|
6PGA
WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Deposited 2019-06-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
|
Not recorded
|
OGM methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate × 1
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.237 M ammonium sulfate, 0.1 M bis-tris chloride, 25.7 %w/v MPEG5000
|
Resolution 2.45 Å
R-free 0.250
|
|
6PGB
WDR5delta32 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)-2-phenylacetamide
Deposited 2019-06-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
Fragment:UNP residues 32-334
|
Not recorded
|
OJG N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide × 1
SO4 SULFATE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.101 M ammonium sulfate, 0.1 M Bis-Tris chloride, pH 5.63, 25.8% w/v PEG4000
|
Resolution 1.73 Å
R-free 0.217
|
|
6PGC
WDR5delta32 bound to methyl benzyl(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Deposited 2019-06-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
Fragment:UNP residues 32-334
|
Not recorded
|
SO4 SULFATE ION × 2
OJJ methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.237 M ammonium sulfate, 0.1 M Bis-Tris chloride, pH 6.92, 25.7% w/v MPEG5000
|
Resolution 1.81 Å
R-free 0.248
|
|
6PGD
WDR5delta32 bound to peptidomimetic
Deposited 2019-06-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
Fragment:UNP residues 32-334
|
Not recorded
|
OK4 N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide × 1
SO4 SULFATE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.233 M ammonium sulfate, 0.1 M Bis-Tris chloride, pH 6.02, 26% w/v PEG8000
|
Resolution 1.50 Å
R-free 0.167
|
|
6PGE
WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)propanoate
Deposited 2019-06-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
Fragment:UNP residues 32-334
|
Not recorded
|
OJM ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate × 1
SO4 SULFATE ION × 2
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.024 M ammonium sulfate, 0.1 M Bis-Tris chloride, pH 5.64, 26.3% w/v PEG4000
|
Resolution 1.76 Å
R-free 0.213
|
|
6PGF
WDR5delta32 bound to N-(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acrylamide
Deposited 2019-06-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
Fragment:UNP residues 32-334
|
Not recorded
|
OJP N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide × 1
SO4 SULFATE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;281 K;0.16 M ammonium sulfate, 0.1 M Bis-Tris chloride, pH 6.1, 30.1% w/v PEG8000
|
Resolution 1.54 Å
R-free 0.170
|
|
6PWV
Cryo-EM structure of MLL1 core complex bound to the nucleosome
Deposited 2019-07-23
|
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 14
PDB declaration: hexadecameric
|
Chain B
22–334(313 aa)
|
Not recorded
|
SAH S-ADENOSYL-L-HOMOCYSTEINE × 2
ZN ZINC ION × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 6.20 Å
|
|
6PWW
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
Deposited 2019-07-23
|
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 11
PDB declaration: tridecameric
|
Chain B
22–334(313 aa)
|
Not recorded
|
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
ZN ZINC ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.40 Å
|
|
6U5M
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-08-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
Q0S 5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, ammonium acetate, PEG 3350
|
Resolution 1.80 Å
R-free 0.186
|
|
6U5M
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-08-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
31–334(304 aa)
|
Not recorded
|
Q0S 5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, ammonium acetate, PEG 3350
|
Resolution 1.80 Å
R-free 0.186
|
|
6U5Y
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-08-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
Q0M 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris pH 6.5, 0.2 M ammonium acetate, 28% PEG 3350
|
Resolution 1.53 Å
R-free 0.177
|
|
6U5Y
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-08-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
31–334(304 aa)
|
Not recorded
|
Q0M 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris pH 6.5, 0.2 M ammonium acetate, 28% PEG 3350
|
Resolution 1.53 Å
R-free 0.177
|
|
6U6W
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-08-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
Q0Y 5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris pH 6.5, 0.2M ammonium acetate, PEG3350
|
Resolution 1.20 Å
R-free 0.179
|
|
6U6W
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-08-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
Q0Y 5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris pH 6.5, 0.2M ammonium acetate, PEG3350
|
Resolution 1.20 Å
R-free 0.179
|
|
6U80
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-09-04
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
Q1J 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium Acetate, PEG 3350
|
Resolution 1.55 Å
R-free 0.203
|
|
6U80
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-09-04
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
Q1J 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium Acetate, PEG 3350
|
Resolution 1.55 Å
R-free 0.203
|
|
6U8B
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-09-04
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
Q1M 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, ammonium acetate, PEG 3350
|
Resolution 1.26 Å
R-free 0.159
|
|
6U8B
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-09-04
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
Q1M 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, ammonium acetate, PEG 3350
|
Resolution 1.26 Å
R-free 0.159
|
|
6U8L
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-09-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
Q1P 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid × 1
Q1S N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium acetate, PEG 3350
|
Resolution 1.57 Å
R-free 0.176
|
|
6U8L
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-09-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
31–334(304 aa)
|
Not recorded
|
Q1P 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid × 1
Q1S N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium acetate, PEG 3350
|
Resolution 1.57 Å
R-free 0.176
|
|
6U8O
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Deposited 2019-09-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
Q1G 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, ammonium acetate, PEG 3350
|
Resolution 1.60 Å
R-free 0.184
|
|
6UCS
Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core
Deposited 2019-09-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
Q41 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium Acetate, PEG 3350
|
Resolution 1.85 Å
R-free 0.194
|
|
6UCS
Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core
Deposited 2019-09-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
Q41 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium Acetate, PEG 3350
|
Resolution 1.85 Å
R-free 0.194
|
|
6UFX
WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13)
Deposited 2019-09-25
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
32–334(303 aa)
Fragment:UNP residues 32-334
|
Not recorded
|
Q6S N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.1 M Bis-Tris or HEPES or Tris-HCl, pH 6.0-8.0, 0.2 M ammonium acetate, 20-30% PEG3350
|
Resolution 2.02 Å
R-free 0.208
|
|
6UHY
WDR5 in complex with Myc site fragment inhibitor
Deposited 2019-09-29
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
Q8G 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium
acetate, 28% to 32% PEG3350.
|
Resolution 1.26 Å
R-free 0.181
|
|
6UHY
WDR5 in complex with Myc site fragment inhibitor
Deposited 2019-09-29
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
31–334(304 aa)
|
Not recorded
|
Q8G 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium
acetate, 28% to 32% PEG3350.
|
Resolution 1.26 Å
R-free 0.181
|
|
6UHZ
WDR5 in complex with Myc site fragment inhibitor
Deposited 2019-09-29
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
Q8D 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% PEG3350
|
Resolution 1.26 Å
R-free 0.176
|
|
6UHZ
WDR5 in complex with Myc site fragment inhibitor
Deposited 2019-09-29
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
31–334(304 aa)
|
Not recorded
|
Q8D 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% PEG3350
|
Resolution 1.26 Å
R-free 0.176
|
|
6UIF
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Deposited 2019-09-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
Q8P 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium acetate, PEG 3350
|
Resolution 1.60 Å
R-free 0.194
|
|
6UIF
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Deposited 2019-09-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
31–334(304 aa)
|
Not recorded
|
Q8P 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium acetate, PEG 3350
|
Resolution 1.60 Å
R-free 0.194
|
|
6UIK
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Deposited 2019-10-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
Q8M 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris 6.5, 0.2 M Ammonium Acetate, 28% PEG 3350
|
Resolution 1.60 Å
R-free 0.182
|
|
6UIK
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Deposited 2019-10-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
31–334(304 aa)
|
Not recorded
|
Q8M 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris 6.5, 0.2 M Ammonium Acetate, 28% PEG 3350
|
Resolution 1.60 Å
R-free 0.182
|
|
6UJ4
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Deposited 2019-10-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
Q8S 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris 6.5, 0.2 M Ammonium acetate, 28% PEG 3350
|
Resolution 1.53 Å
R-free 0.177
|
|
6UJ4
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Deposited 2019-10-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
31–334(304 aa)
|
Not recorded
|
Q8S 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris 6.5, 0.2 M Ammonium acetate, 28% PEG 3350
|
Resolution 1.53 Å
R-free 0.177
|
|
6UJH
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Deposited 2019-10-03
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
QBS (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile × 1
SO4 SULFATE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;0.1 M Hepes, 0.2 M ammonium acetate, 32% PEG3350
|
Resolution 1.49 Å
R-free 0.169
|
|
6UJH
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Deposited 2019-10-03
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
QBS (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile × 1
SO4 SULFATE ION × 1
DMS DIMETHYL SULFOXIDE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;0.1 M Hepes, 0.2 M ammonium acetate, 32% PEG3350
|
Resolution 1.49 Å
R-free 0.169
|
|
6UJJ
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Deposited 2019-10-03
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
QBP 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Hepes, 0.2 M ammonium acetate, 32% PEG3350
|
Resolution 1.73 Å
R-free 0.190
|
|
6UJL
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Deposited 2019-10-03
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
QBM 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Hepes, 0.2 M ammonium acetate, 32% PEG3350
|
Resolution 1.60 Å
R-free 0.183
|
|
6UOZ
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Deposited 2019-10-16
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
31–334(304 aa)
Chain B
31–334(304 aa)
|
Not recorded
|
QF1 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, ammonium acetate, PEG 3350
|
Resolution 1.53 Å
R-free 0.169
|
|
6W5I
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class01)
Deposited 2020-03-13
|
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 12
PDB declaration: tetradecameric
|
Chain B
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 6.90 Å
|
|
6W5M
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class02)
Deposited 2020-03-13
|
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 12
PDB declaration: tetradecameric
|
Chain B
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.60 Å
|
|
6W5N
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class05)
Deposited 2020-03-13
|
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 12
PDB declaration: tetradecameric
|
Chain B
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 6.00 Å
|
|
6WJQ
Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Deposited 2020-04-14
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;291 K;PEG 3350, Ammonium Acetate, Bis-tris
|
Resolution 2.71 Å
R-free 0.252
|
|
6WJQ
Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Deposited 2020-04-14
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;291 K;PEG 3350, Ammonium Acetate, Bis-tris
|
Resolution 2.71 Å
R-free 0.252
|
|
7AXP
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 2
Deposited 2020-11-10
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277.15 K;10% (w/v) PEG20000, 20% (v/v) PEG550 MME, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate
|
Resolution 2.43 Å
R-free 0.331
|
|
7AXQ
Structure of the cryo-trapped WDR5:CS-VIP8 cocrystal after illumination at 405 nm and 180 K
Deposited 2020-11-10
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277.15 K;10% (w/v) PEG20000, 20% (v/v) PEG550 MME, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate
|
Resolution 1.56 Å
R-free 0.200
|
|
7AXS
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 1
Deposited 2020-11-10
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277.15 K;10% (w/v) PEG20000, 20% (v/v) PEG550 MME, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate
|
Resolution 1.88 Å
R-free 0.235
|
|
7AXU
Structure of WDR5:CS-VIP8 cocrystal after illumination in situ
Deposited 2020-11-10
|
Different construct
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277.15 K;10% (w/v) PEG20000, 20% (v/v) PEG550 MME, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate
|
Resolution 1.68 Å
R-free 0.193
|
|
7AXX
Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature
Deposited 2020-11-10
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277.15 K;10% (w/v) PEG20000, 20% (v/v) PEG550 MME, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate
|
Resolution 1.79 Å
R-free 0.214
|
|
7BCY
X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide
Deposited 2020-12-21
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
25–334(310 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;294 K;100 mM Bis-Tris pH 5.5, 50 mM (NH4)2SO4, 25% PEG3350
|
Resolution 1.50 Å
R-free 0.227
|
|
7BCY
X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide
Deposited 2020-12-21
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
25–334(310 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;294 K;100 mM Bis-Tris pH 5.5, 50 mM (NH4)2SO4, 25% PEG3350
|
Resolution 1.50 Å
R-free 0.227
|
|
7BED
X-ray structure of WDR5 bound to the WDR5 win motif peptide
Deposited 2020-12-23
|
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
1–334(334 aa)
Chain B
1–334(334 aa)
|
Not recorded
|
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.5;294 K;26% PEG 3350, 100mM Bis-Tris pH 5.5, 50mM (NH4)2SO4,WDR5 at 14,65 mg/ml with 2:1 (protein:well) drop ratio.
|
Resolution 1.26 Å
R-free 0.171
|
|
7CFP
Crystal structure of WDR5 in complex with a H3Q5ser peptide
Deposited 2020-06-27
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–334(334 aa)
|
Not recorded
|
SRO SEROTONIN × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;295 K;0.1% Octylglucoside, 0.1M Sodium citrate tribasic dihydrate pH 5.5, 22% PEG 3350
|
Resolution 1.60 Å
R-free 0.199
|
|
7CFQ
Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide
Deposited 2020-06-27
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–334(334 aa)
|
Not recorded
|
GOL GLYCEROL × 1
EDO 1,2-ETHANEDIOL × 1
SRO SEROTONIN × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;295 K;0.15M ammonium sulfate, 0.1M MES pH 5.5, 25% PEG 4000, 2% PEG 3350
|
Resolution 1.60 Å
R-free 0.190
|
|
7DNO
Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique
Deposited 2020-12-10
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain A
24–334(311 aa)
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;291 K;0.1 M BisTris pH 6.0, 0.2M ammonium acetate, 20-30% PEG3350
|
Resolution 2.03 Å
R-free 0.227
|
|
7JTO
Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
Deposited 2020-08-18
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain B
31–334(304 aa)
|
Not recorded
|
SCN THIOCYANATE ION × 4
EDO 1,2-ETHANEDIOL × 5
VKA 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide × 1
GOL GLYCEROL × 1
NA SODIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293.15 K;0.1 M HEPES sodium, pH 7.5-8.0, 1.3-1.6 M sodium thiocyanate, 15-20% PEG3350
|
Resolution 1.70 Å
R-free 0.225
|
|
7JTP
Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
Deposited 2020-08-18
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain A
31–334(304 aa)
|
Not recorded
|
GOL GLYCEROL × 1
X6M N-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293.15 K;0.1 M Tris, pH 8.5, 30% PEG300
|
Resolution 2.12 Å
R-free 0.224
|
|
7MBM
Cryo-EM structure of MLL1-NCP (H3K4M) complex, mode01
Deposited 2021-04-01
|
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 12
PDB declaration: tetradecameric
|
Chain B
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.76 Å
|
|
7MBN
Cryo-EM structure of MLL1-NCP (H3K4M) complex, mode02
Deposited 2021-04-01
|
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 12
PDB declaration: tetradecameric
|
Chain B
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.02 Å
|
|
7Q2J
Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer
Deposited 2021-10-25
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain D
24–334(311 aa)
|
Not recorded
|
8KH N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.8;293 K;21% PEG 3350
0.4 M KSCN
0.1 M HEPES 6.8
|
Resolution 2.50 Å
R-free 0.293
|
|
7U9Y
WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
Deposited 2022-03-11
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
30–334(305 aa)
|
Not recorded
|
BEN BENZAMIDINE × 1
M4U (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;BIS-Tris, ammonium acetate, PEG 3350, benzamidine
|
Resolution 1.90 Å
R-free 0.189
|
|
7UAS
Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization
Deposited 2022-03-14
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
MBU (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium Acetate, PEG 3350
|
Resolution 1.81 Å
R-free 0.175
|
|
7UAS
Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization
Deposited 2022-03-14
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
MBU (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;Bis-Tris, Ammonium Acetate, PEG 3350
|
Resolution 1.81 Å
R-free 0.175
|
|
7UD5
Complex between MLL1-WRAD and an H2B-ubiquitinated nucleosome
Deposited 2022-03-18
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 15
PDB declaration: heptadecameric
|
Chain L
2–334(333 aa)
|
Not recorded
|
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
ZN ZINC ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.25 Å
|
|
7WVK
Crystal structure of human WDR5 in complex with compound 19
Deposited 2022-02-10
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
6IQ 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole × 1
GOL GLYCEROL × 4
EDO 1,2-ETHANEDIOL × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;291 K;0.1M Bis-Tris, 0.2 M NH4OAC, 30% PEG3350
|
Resolution 1.42 Å
R-free 0.182
|
|
8BB2
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
Deposited 2022-10-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain B
33–334(302 aa)
|
Not recorded
|
SCN THIOCYANATE ION × 5
Q3X ~{N}-[5-[4-[2-[2-[2-[2-[3-[[3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-3~{H}-pyridine-3-carboxamide × 1
EDO 1,2-ETHANEDIOL × 7
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.8;293 K;21-28% PEG 3350 0.4-1 M KSCN 0.1 M HEPES 6.8
|
Resolution 2.05 Å
R-free 0.237
|
|
8BB3
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
Deposited 2022-10-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain B
33–334(302 aa)
|
Not recorded
|
SCN THIOCYANATE ION × 15
EDO 1,2-ETHANEDIOL × 13
P6G HEXAETHYLENE GLYCOL × 1
Q3X ~{N}-[5-[4-[2-[2-[2-[2-[3-[[3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-3~{H}-pyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.8;293 K;21-26% PEG 3350 0.4-1 M KSCN 0.1 M HEPES
|
Resolution 1.80 Å
R-free 0.227
|
|
8BB4
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker
Deposited 2022-10-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain Q
33–334(302 aa)
|
Not recorded
|
Q3R ~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.8;293 K;21-28% PEG 3350 0.4 M KSCN 0.1 M HEPES pH 6.8
|
Resolution 2.80 Å
R-free 0.279
|
|
8BB5
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker
Deposited 2022-10-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain D
33–334(302 aa)
|
Not recorded
|
SCN THIOCYANATE ION × 10
Q43 ~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide × 1
EDO 1,2-ETHANEDIOL × 4
K POTASSIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;21% PEG 3350, 0.4-1 M KSCN 0.1 M HEPES pH 6.8
|
Resolution 2.20 Å
R-free 0.248
|
|
8DU4
Complex between RbBP5-WDR5 and an H2B-ubiquitinated nucleosome
Deposited 2022-07-26
|
Different construct
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 11
PDB declaration: tridecameric
|
Chain L
2–334(333 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.55 Å
|
|
8E9F
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Deposited 2022-08-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
30–334(305 aa)
|
Not recorded
|
BEN BENZAMIDINE × 1
UY9 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;BIS-Tris, ammonium acetate, PEG 3350, benzamidine
|
Resolution 1.55 Å
R-free 0.184
|
|
8F1G
Crystal structure of human WDR5 in complex with compound WM662
Deposited 2022-11-05
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
X8N (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid × 1
GOL GLYCEROL × 4
SO4 SULFATE ION × 1
PGE TRIETHYLENE GLYCOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M HEPES pH=7.4, 25 mM ammonium sulfate, 24% w/v Polyethylene glycol 3350
|
Resolution 2.14 Å
R-free 0.249
|
|
8F1G
Crystal structure of human WDR5 in complex with compound WM662
Deposited 2022-11-05
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
X8N (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid × 1
GOL GLYCEROL × 3
SO4 SULFATE ION × 1
PGE TRIETHYLENE GLYCOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M HEPES pH=7.4, 25 mM ammonium sulfate, 24% w/v Polyethylene glycol 3350
|
Resolution 2.14 Å
R-free 0.249
|
|
8F93
WDR5 covalently modified at Y228 by (R)-2-SF
Deposited 2022-11-23
|
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: monomeric
|
Chain A
22–334(313 aa)
Chain B
22–334(313 aa)
|
Not recorded
|
XKN 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride × 2
GOL GLYCEROL × 4
SO4 SULFATE ION × 2
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;298 K;0.2 M Ammonium sulfate, 0.1 M MES pH 6.5, 20% w/v PEG 8000
|
Resolution 2.30 Å
R-free 0.253
|
|
8F93
WDR5 covalently modified at Y228 by (R)-2-SF
Deposited 2022-11-23
|
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: monomeric
|
Chain A
22–334(313 aa)
Chain B
22–334(313 aa)
|
Not recorded
|
XKN 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride × 2
GOL GLYCEROL × 4
SO4 SULFATE ION × 2
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;298 K;0.2 M Ammonium sulfate, 0.1 M MES pH 6.5, 20% w/v PEG 8000
|
Resolution 2.30 Å
R-free 0.253
|
|
8G3C
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
Deposited 2023-02-07
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
YJN N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;294 K;20% PEG3350, 0.2 M potassium acetate
|
Resolution 1.80 Å
R-free 0.224
|
|
8G3E
Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
Deposited 2023-02-07
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
YJR (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;294 K;23.5% PEG3350, 0.21 M ammonium sulfate, 0.1 M HEPES, pH 7.5
|
Resolution 1.33 Å
R-free 0.170
|
|
8G3E
Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
Deposited 2023-02-07
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
YJR (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;294 K;23.5% PEG3350, 0.21 M ammonium sulfate, 0.1 M HEPES, pH 7.5
|
Resolution 1.33 Å
R-free 0.170
|
|
8HMX
WDR5 in complex with histone H3Q5his peptide
Deposited 2022-12-06
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
31–334(304 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.1 M sodium citrate tribasic dihydrate (pH 5.5), 22% polyethylene glycol (PEG) 3350, and 0.1% n-Octyl-beta-D-glucoside
|
Resolution 1.70 Å
R-free 0.193
|
|
8Q1N
Cyclic peptide binder of the WBM-site of WDR5
Deposited 2023-08-01
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;298 K;0.2M Li3-Citrate, 20 w/v% PEG3350
|
Resolution 1.84 Å
R-free 0.243
|
|
8Q1N
Cyclic peptide binder of the WBM-site of WDR5
Deposited 2023-08-01
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;298 K;0.2M Li3-Citrate, 20 w/v% PEG3350
|
Resolution 1.84 Å
R-free 0.243
|
|
8T5I
Crystal structure of human WDR5 in complex with MR4397
Deposited 2023-06-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
ZHF N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 3
UNX UNKNOWN LIGAND × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;25% PEG3350, 0.2 M (NH4)2SO4, 0.1M BTP pH 7.0
|
Resolution 1.70 Å
R-free 0.232
|
|
8T5I
Crystal structure of human WDR5 in complex with MR4397
Deposited 2023-06-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
ZHF N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 5
UNX UNKNOWN LIGAND × 1
PEG DI(HYDROXYETHYL)ETHER × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;25% PEG3350, 0.2 M (NH4)2SO4, 0.1M BTP pH 7.0
|
Resolution 1.70 Å
R-free 0.232
|
|
8UJY
Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8)
Deposited 2023-10-11
|
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
24–334(311 aa)
Fragment:UNP residues 23-334
Chain B
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
VV3 (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.1 M Bis-Tris pH 7.0, 0.2 M ammonium acetate, 25% PEG3350
|
Resolution 2.01 Å
R-free 0.232
|
|
8WXQ
Structure of WDR5 in complex with WIN motif containing MBD3C
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;291 K;0.1 M HEPES (pH 7.5), 18% PEG 600
|
Resolution 1.90 Å
R-free 0.209
|
|
8WXQ
Structure of WDR5 in complex with WIN motif containing MBD3C
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;291 K;0.1 M HEPES (pH 7.5), 18% PEG 600
|
Resolution 1.90 Å
R-free 0.209
|
|
8WXR
Structure of WDR5 in complex with WIN motif containing MBD3C F47A
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M potassium dihydrogen phosphate, 20% PEG 3350
|
Resolution 2.08 Å
R-free 0.199
|
|
8WXR
Structure of WDR5 in complex with WIN motif containing MBD3C F47A
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M potassium dihydrogen phosphate, 20% PEG 3350
|
Resolution 2.08 Å
R-free 0.199
|
|
8WXT
Structure of WDR5 in complex with WIN motif containing MBD3C R45E/V46G
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;291 K;0.2 M imidazole malate, pH 5.5, 33% PEG 600
|
Resolution 1.83 Å
R-free 0.179
|
|
8WXU
Structure of WDR5 in complex with WIN motif containing MBD3C C44S/R45E/V46G
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M lithium chloride, 20% PEG 3350
|
Resolution 2.37 Å
R-free 0.233
|
|
8WXV
Structure of WDR5 in complex with WIN motif containing SET1B
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;291 K;0.1 M Bis-Tris, pH 5.5, 25% PEG 3350
|
Resolution 2.40 Å
R-free 0.205
|
|
8WXV
Structure of WDR5 in complex with WIN motif containing SET1B
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;291 K;0.1 M Bis-Tris, pH 5.5, 25% PEG 3350
|
Resolution 2.40 Å
R-free 0.205
|
|
8WXX
Structure of WDR5 in complex with WIN motif containing SET1B E1750R/G1751V
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;291 K;0.1 M sodium citrate, pH 5.5, 16% PEG 4000, 10% 2-propanol
|
Resolution 2.10 Å
R-free 0.212
|
|
8WXX
Structure of WDR5 in complex with WIN motif containing SET1B E1750R/G1751V
Deposited 2023-10-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;291 K;0.1 M sodium citrate, pH 5.5, 16% PEG 4000, 10% 2-propanol
|
Resolution 2.10 Å
R-free 0.212
|
|
8X3R
Crystal structure of human WDR5 in complex with WDR5
Deposited 2023-11-14
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–334(334 aa)
Chain B
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;289 K;0.1 M magnesium formate dihydrate, 15% w/v polyethylene glycol 3350
|
Resolution 1.76 Å
R-free 0.205
|
|
8X3S
Crystal structure of human WDR5 in complex with PTEN
Deposited 2023-11-14
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
21–334(314 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;289 K;0.2 M lithium sulfate monohydrate, 0.1 M HEPES at pH 7.5, 25% w/v polyethylene glycol 3350
|
Resolution 1.87 Å
R-free 0.259
|
|
9B9H
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40333
Deposited 2024-04-02
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
A1AM2 N-{(1P)-5'-({(17E)-18-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-16-oxo-3,6,9,12-tetraoxa-15-azaoctadec-17-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;294 K;5% w/v 1-ethyl-3-methylimidazolium ethyl sulfate, 15% w/v polyethylene glycol 20,000, pH 7.9
|
Resolution 2.06 Å
R-free 0.229
|
|
9B9T
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40407
Deposited 2024-04-03
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
A1ANM N-{(1P)-5'-[(17-{(4P)-4-[(2P)-4-{[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-1H-pyrazol-1-yl}-16-oxo-3,6,9,12-tetraoxa-15-azaheptadecan-1-yl)carbamoyl]-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;294 K;0.1 M sodium acetate trihydrate, pH 4.6, 2.0 M sodium formate
|
Resolution 2.05 Å
R-free 0.196
|
|
9B9W
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40792
Deposited 2024-04-03
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
A1ANN (4P)-N-[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(25E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,24-dioxo-5,8,11,14,17,20-hexaoxa-2,23-diazahexacos-25-en-26-yl]-1H-pyrrole-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;294 K;35% v/v tacsimate, pH 7.0
|
Resolution 1.92 Å
R-free 0.183
|
|
9BA2
Crystal structure of the binary complex of DCAF1 and WDR5
Deposited 2024-04-03
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
IMD IMIDAZOLE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;294 K;0.2 M imidazole, pH 7.4, 20% w/v polyethylene glycol 4,000
|
Resolution 2.97 Å
R-free 0.266
|
|
9D5Z
Crystal structure of the human WDR5 in complex with LH168 compound
Deposited 2024-08-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
A1A16 (3P)-N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-5-[(1H-imidazol-1-yl)methyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;20% PEG3350, 0.2 M Ammonium formate
|
Resolution 1.70 Å
R-free 0.189
|
|
9D5Z
Crystal structure of the human WDR5 in complex with LH168 compound
Deposited 2024-08-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
24–334(311 aa)
Fragment:UNP residues 23-334
|
Not recorded
|
A1A16 (3P)-N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-5-[(1H-imidazol-1-yl)methyl]benzamide × 1
EDO 1,2-ETHANEDIOL × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;20% PEG3350, 0.2 M Ammonium formate
|
Resolution 1.70 Å
R-free 0.189
|
|
9DLW
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41114
Deposited 2024-09-11
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
A1BAF N-{(1P)-5'-({(32E)-33-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacont-32-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.9;294 K;1.8 M Sodium phosphate monobasic monohydrate, potassium phosphate dibasic / pH 6.9
|
Resolution 2.07 Å
R-free 0.242
|
|
9IY5
WDR5 inhibitor complex
Deposited 2024-07-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.5;289 K;Bis-tris pH 5.5 25% PEG 4000
|
Resolution 1.80 Å
R-free 0.255
|
|
9IY5
WDR5 inhibitor complex
Deposited 2024-07-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.5;289 K;Bis-tris pH 5.5 25% PEG 4000
|
Resolution 1.80 Å
R-free 0.255
|
|
9J20
Structure of WDR5 in complex with KIF2A
Deposited 2024-08-06
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;298 K;0.1 M HEPES (pH 7.5) and 18% PEG 600
|
Resolution 1.85 Å
R-free 0.206
|
|
9J20
Structure of WDR5 in complex with KIF2A
Deposited 2024-08-06
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;298 K;0.1 M HEPES (pH 7.5) and 18% PEG 600
|
Resolution 1.85 Å
R-free 0.206
|
|
9JWV
Structure of WDR5 Y191F in complex with WIN motif containing Kif2A
Deposited 2024-10-10
|
Different construct
Different mutation/modification
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Mutation:Y191F
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;291 K;0.1 M HEPES (pH 7.5), 18% PEG 600
|
Resolution 1.80 Å
R-free 0.211
|
|
9JWV
Structure of WDR5 Y191F in complex with WIN motif containing Kif2A
Deposited 2024-10-10
|
Different construct
Different mutation/modification
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Mutation:Y191F
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;291 K;0.1 M HEPES (pH 7.5), 18% PEG 600
|
Resolution 1.80 Å
R-free 0.211
|
|
9KD4
Structure of WDR5 in complex with WIN motif containing Kif2A 114-120
Deposited 2024-11-03
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.2 M Ammonium acetate, 0.1 M Sodium acetate pH=4, 15% PEG 4000
|
Resolution 1.64 Å
R-free 0.204
|
|
9KD4
Structure of WDR5 in complex with WIN motif containing Kif2A 114-120
Deposited 2024-11-03
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.2 M Ammonium acetate, 0.1 M Sodium acetate pH=4, 15% PEG 4000
|
Resolution 1.64 Å
R-free 0.204
|
|
9KD5
Structure of WDR5 in complex with WIN motif containing Kif2A S121G
Deposited 2024-11-03
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M imidazole malate, pH=5.5, 24% PEG 600
|
Resolution 1.80 Å
R-free 0.216
|
|
9KD5
Structure of WDR5 in complex with WIN motif containing Kif2A S121G
Deposited 2024-11-03
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M imidazole malate, pH=5.5, 24% PEG 600
|
Resolution 1.80 Å
R-free 0.216
|
|
9KFM
Structure of WDR5 in complex with WIN motif containing EMBOW
Deposited 2024-11-06
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.1 M sodium cacodylate, pH 5.5, 25% (w/v) PEG 4000
|
Resolution 1.80 Å
R-free 0.201
|
|
9KFM
Structure of WDR5 in complex with WIN motif containing EMBOW
Deposited 2024-11-06
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.1 M sodium cacodylate, pH 5.5, 25% (w/v) PEG 4000
|
Resolution 1.80 Å
R-free 0.201
|
|
9KFN
Structure of WDR5 in complex with mutated EMBOW T3V
Deposited 2024-11-06
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.2 M imidazole malate, pH 8.5, 12.5 % (w/v) PEG 10000.
|
Resolution 2.80 Å
R-free 0.241
|
|
9KFO
Structure of WDR5 in complex with mutated EMBOW
Deposited 2024-11-06
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M sodium HEPES, pH 7.0, 15 % (w/v) PEG 4000.
|
Resolution 2.20 Å
R-free 0.190
|
|
9KQS
Crystal structure of WDR5 in complex with peptide MRTEPRPPAP of EMBOW
Deposited 2024-11-26
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;291.15 K;0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350
|
Resolution 1.72 Å
R-free 0.210
|
|
9L0T
Structure of WDR5 in complex with WIN motif containing RBM15
Deposited 2024-12-12
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M imidazole malate, pH 6.0, and 15 % (w/v) PEG 4000
|
Resolution 2.05 Å
R-free 0.245
|
|
9L0T
Structure of WDR5 in complex with WIN motif containing RBM15
Deposited 2024-12-12
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M imidazole malate, pH 6.0, and 15 % (w/v) PEG 4000
|
Resolution 2.05 Å
R-free 0.245
|
|
9L0V
Structure of WDR5 in complex with WIN motif containing ZSCAN10
Deposited 2024-12-13
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.1 M sodium citrate, pH 4.5, and 20 % (w/v) PEG 4000
|
Resolution 2.00 Å
R-free 0.220
|
|
9LWY
Crystal structure of human WDR5 in complex with compound 4
Deposited 2025-02-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
GOL GLYCEROL × 1
A1EMB 4-[[2-(6-fluoranyl-2-methyl-pyridin-3-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyridin-4-yl]methyl]-1-methyl-imidazol-2-amine × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;PEG3350, Bis-Tris, ammonium acetate
|
Resolution 1.55 Å
R-free 0.191
|
|
9NCT
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
A1BW7 4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;Ammonium Acetate, PEG 3350, Bis-TRS, TRIS, or HEPES
|
Resolution 2.11 Å
R-free 0.228
|
|
9NCT
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
A1BW7 4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;Ammonium Acetate, PEG 3350, Bis-TRS, TRIS, or HEPES
|
Resolution 2.11 Å
R-free 0.228
|
|
9NCV
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
A1BW8 (6P)-6-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazole × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;ammonium acetate, PEG3350, Bis-TRIS, TRIS, HEPES
|
Resolution 1.58 Å
R-free 0.287
|
|
9NCV
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
A1BW8 (6P)-6-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazole × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;ammonium acetate, PEG3350, Bis-TRIS, TRIS, HEPES
|
Resolution 1.58 Å
R-free 0.287
|
|
9NCV
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
22–334(313 aa)
|
Not recorded
|
A1BW8 (6P)-6-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazole × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;ammonium acetate, PEG3350, Bis-TRIS, TRIS, HEPES
|
Resolution 1.58 Å
R-free 0.287
|
|
9NCV
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
22–334(313 aa)
|
Not recorded
|
A1BW8 (6P)-6-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazole × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;ammonium acetate, PEG3350, Bis-TRIS, TRIS, HEPES
|
Resolution 1.58 Å
R-free 0.287
|
|
9NCW
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
A1BW9 1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;ammonium acetate, PEG 3350, Bis-TRIS, HEPES, TRIS
|
Resolution 1.58 Å
R-free 0.275
|
|
9NCW
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
A1BW9 1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;ammonium acetate, PEG 3350, Bis-TRIS, HEPES, TRIS
|
Resolution 1.58 Å
R-free 0.275
|
|
9NCW
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;ammonium acetate, PEG 3350, Bis-TRIS, HEPES, TRIS
|
Resolution 1.58 Å
R-free 0.275
|
|
9NCW
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
Deposited 2025-02-17
|
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;289.15 K;ammonium acetate, PEG 3350, Bis-TRIS, HEPES, TRIS
|
Resolution 1.58 Å
R-free 0.275
|
|
9NSN
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41059
Deposited 2025-03-17
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
A1B0X N-{(1P)-5'-({(26E)-27-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-25-oxo-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-26-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;294 K;0.15 M cesium chloride, 15% PEG3350
|
Resolution 1.85 Å
R-free 0.234
|
|
9NSO
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41060
Deposited 2025-03-17
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
A1B0Y (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(34E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,33-dioxo-5,8,11,14,17,20,23,26,29-nonaoxa-2,32-diazapentatriacont-34-en-35-yl]-1H-pyrrole-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;294 K;0.1 M sodium citrate tribasic dihydrate, pH 4.2, 0.4 M potassium phosphate dibasic, 1.6 M sodium phosphate monobasic monohydrate
|
Resolution 1.85 Å
R-free 0.218
|
|
9UJR
Crystal structure of WDR5 in complex with peptide Ac-MRT-NH2
Deposited 2025-04-17
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291.15 K;0.1 M HEPES pH 7.0, 30% v/v Jeffamine ED-2001 pH 7.0
|
Resolution 2.25 Å
R-free 0.235
|
|
9UJZ
Crystal structure of WDR5 in complex with peptide Ac-MRTEPRP-NH2
Deposited 2025-04-17
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291.15 K;0.1 M HEPES pH 7.0, 30% v/v Jeffamine ED-2001 pH 7.0
|
Resolution 2.46 Å
R-free 0.229
|
|
9UK1
Crystal structure of WDR5 in complex with EMBOW
Deposited 2025-04-17
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291.15 K;0.2 M Sodium tartrate dibasic dihydrate, 20% w/v Polyethylene glycol 3,350, pH7.3
|
Resolution 2.02 Å
R-free 0.226
|
|
9UK4
Crystal structure of WDR5 in complex with peptide Ac-ARA-NH2
Deposited 2025-04-17
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291.15 K;0.1 M HEPES pH 7.0, 30% v/v Jeffamine ED-2001 pH 7.0
|
Resolution 2.12 Å
R-free 0.242
|
|
9UK7
Crystal structure of WDR5 in complex with peptide Ac-MRTEP-NH2
Deposited 2025-04-17
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291.15 K;0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000
|
Resolution 1.95 Å
R-free 0.237
|
|
9UK7
Crystal structure of WDR5 in complex with peptide Ac-MRTEP-NH2
Deposited 2025-04-17
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291.15 K;0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000
|
Resolution 1.95 Å
R-free 0.237
|
|
9UK7
Crystal structure of WDR5 in complex with peptide Ac-MRTEP-NH2
Deposited 2025-04-17
|
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain C
22–334(313 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291.15 K;0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000
|
Resolution 1.95 Å
R-free 0.237
|
|
9UOJ
WDR5 bound with P3
Deposited 2025-04-25
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
21–334(314 aa)
|
Not recorded
|
A1L9J ~{N}-[5-[2-fluoranyl-5-[4-[[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,1,3-benzoxadiazol-7-yl]amino]butylcarbamoyl]phenyl]-2-[(3~{R},5~{S})-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1~{H}-pyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;300 K;30% (w/v) polyethylene glycol 5000, 0.2 M ammonium sulfate, and 0.1 M MES monohydrate (pH 6.5)
|
Resolution 1.82 Å
R-free 0.254
|
|
9UXG
Structure of WDR5 in complex with Peptide 2
Deposited 2025-05-14
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2M Sodium iodide, 0.1M Bis-tris propane pH 7.5, 20% w/v PEG 3350
|
Resolution 1.70 Å
R-free 0.243
|
|
9UXJ
Structure of WDR5 in complex with Peptide 2_R4A
Deposited 2025-05-14
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M imidazole malate (pH 7.0), and 25 % w/v PEG 4000
|
Resolution 1.76 Å
R-free 0.225
|
|
9UXM
Structure of WDR5 in complex with Peptide 1
Deposited 2025-05-14
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M sodium fluoride, 0.1 M Bis-Tris propane, pH 8.5, 20% w/v PEG3350
|
Resolution 1.48 Å
R-free 0.193
|
|
9VN5
Structure of WDR5 in complex with MBD3C R43K
Deposited 2025-06-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M imidazole malate (pH 8.5) and 7.5% w/v PEG 10,000
|
Resolution 1.90 Å
R-free 0.231
|
|
9VN5
Structure of WDR5 in complex with MBD3C R43K
Deposited 2025-06-30
|
Different construct
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
24–334(311 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;0.2 M imidazole malate (pH 8.5) and 7.5% w/v PEG 10,000
|
Resolution 1.90 Å
R-free 0.231
|
|
9YL3
State 1 MLL4FC bound to a nucleosome premodified with H2BK120ub and H4K16ac
Deposited 2025-10-08
|
Different construct
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Heteromer;Protein × 15
PDB declaration: 17-meric
|
Chain R
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
mmCIF provides none of the parsed conditions
|
Resolution 3.50 Å
|
|
9YLE
State 3 MLL4FC bound to a nucleosome premodified with H2BK120ub and H4K16ac
Deposited 2025-10-08
|
Different construct
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Heteromer;Protein × 15
PDB declaration: 17-meric
|
Chain R
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
mmCIF provides none of the parsed conditions
|
Resolution 3.63 Å
|
|
9YLY
MLL4FC bound to a nucleosome with p53 RE
Deposited 2025-10-09
|
Different construct
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Heteromer;Protein × 14
PDB declaration: 16-meric
|
Chain R
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
mmCIF provides none of the parsed conditions
|
Resolution 3.77 Å
|
|
9YM8
State 2 focused on PHD FYR of MLL4FC bound to a nucleosome premodified with H2BK120ub and H4K16ac
Deposited 2025-10-09
|
Different construct
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Heteromer;Protein × 16
PDB declaration: 18-meric
|
Chain R
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
mmCIF provides none of the parsed conditions
|
Resolution 3.43 Å
|
|
9YMF
State 2 focused on H3 N terminal tail of MLL4FC bound to a nucleosome premodified with H2BK120ub and H4K16ac
Deposited 2025-10-09
|
Different construct
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Heteromer;Protein × 16
PDB declaration: 18-meric
|
Chain R
1–334(334 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
mmCIF provides none of the parsed conditions
|
Resolution 3.45 Å
|