Author results

6BVK
  • Download 6bvk
  • View 6bvk
Molmil generated image of 6bvk
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 2018
6BVL
  • Download 6bvl
  • View 6bvl
Molmil generated image of 6bvl
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRAS, Son of sevenless homolog 1, GTPase HRas, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 2018
6BVM
  • Download 6bvm
  • View 6bvm
Molmil generated image of 6bvm
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 2018
6CUO
  • Download 6cuo
  • View 6cuo
Molmil generated image of 6cuo
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CUP
  • Download 6cup
  • View 6cup
Molmil generated image of 6cup
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CUR
  • Download 6cur
  • View 6cur
Molmil generated image of 6cur
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6D55
  • Download 6d55
  • View 6d55
Molmil generated image of 6d55
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D56
  • Download 6d56
  • View 6d56
Molmil generated image of 6d56
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D59
  • Download 6d59
  • View 6d59
Molmil generated image of 6d59
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5E
  • Download 6d5e
  • View 6d5e
Molmil generated image of 6d5e
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5G
  • Download 6d5g
  • View 6d5g
Molmil generated image of 6d5g
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5H
  • Download 6d5h
  • View 6d5h
Molmil generated image of 6d5h
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5J
  • Download 6d5j
  • View 6d5j
Molmil generated image of 6d5j
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5L
  • Download 6d5l
  • View 6d5l
Molmil generated image of 6d5l
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5M
  • Download 6d5m
  • View 6d5m
Molmil generated image of 6d5m
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, MAGNESIUM ION, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5V
  • Download 6d5v
  • View 6d5v
Molmil generated image of 6d5v
RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, MAGNESIUM ION, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6DY7
  • Download 6dy7
  • View 6dy7
Molmil generated image of 6dy7
WDR5 IN COMPLEX WITH A WIN SITE INHIBITOR
Descriptor:WD repeat-containing protein 5, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Phan, J., Wang, F., Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
  • Download 6dya
  • View 6dya
Molmil generated image of 6dya
WDR5 IN COMPLEX WITH A WIN SITE INHIBITOR
Descriptor:WD repeat-containing protein 5, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
Authors:Phan, J., Wang, F., Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
  • Download 6e1y
  • View 6e1y
Molmil generated image of 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
Descriptor:WD repeat-containing protein 5, N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide
Authors:Phan, J., Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Z
  • Download 6e1z
  • View 6e1z
Molmil generated image of 6e1z
DISPLACEMENT OF WDR5 FROM CHROMATIN BY A PHARMACOLOGICAL WIN SITE INHIBITOR WITH PICOMOLAR AFFINITY
Descriptor:WD repeat-containing protein 5, 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid
Authors:Phan, J., Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
  • Download 6e22
  • View 6e22
Molmil generated image of 6e22
DISPLACEMENT OF WDR5 FROM CHROMATIN BY A PHARMACOLOGICAL WIN SITE INHIBITOR WITH PICOMOLAR AFFINITY
Descriptor:WD repeat-containing protein 5, 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION
Authors:Phan, J., Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
  • Download 6e23
  • View 6e23
Molmil generated image of 6e23
DISPLACEMENT OF WDR5 FROM CHROMATIN BY A PHARMACOLOGICAL WIN SITE INHIBITOR WITH PICOMOLAR AFFINITY
Descriptor:WD repeat-containing protein 5, 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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Phan, J., Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
1A1W
  • Download 1a1w
  • View 1a1w
Molmil generated image of 1a1w
FADD DEATH EFFECTOR DOMAIN, F25Y MUTANT, NMR MINIMIZED AVERAGE STRUCTURE
Descriptor:FADD PROTEIN
Authors:Eberstadt, M., Huang, B., Chen, Z., Meadows, R.P., Ng, C., Fesik, S.W.
Deposit date:1997-12-18
Release date:1998-12-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structure and mutagenesis of the FADD (Mort1) death-effector domain.
Nature, 392, 1998
1A1Z
  • Download 1a1z
  • View 1a1z
Molmil generated image of 1a1z
FADD DEATH EFFECTOR DOMAIN, F25G MUTANT, NMR MINIMIZED AVERAGE STRUCTURE
Descriptor:FADD PROTEIN
Authors:Eberstadt, M., Huang, B., Chen, Z., Meadows, R.P., Ng, C., Fesik, S.W.
Deposit date:1997-12-18
Release date:1998-12-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structure and mutagenesis of the FADD (Mort1) death-effector domain.
Nature, 392, 1998
1BC9
  • Download 1bc9
  • View 1bc9
Molmil generated image of 1bc9
CYTOHESIN-1/B2-1 SEC7 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor:CYTOHESIN-1
Authors:Betz, S.F., Schnuchel, A., Wang, H., Olejniczak, E.T., Meadows, R.P., Fesik, S.W.
Deposit date:1998-05-06
Release date:1999-05-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the cytohesin-1 (B2-1) Sec7 domain and its interaction with the GTPase ADP ribosylation factor 1.
Proc.Natl.Acad.Sci.USA, 95, 1998