Author results

4EPR
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION.
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPT
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPV
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPW
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPX
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPY
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4IJH
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FRAGMENT-BASED DISCOVERY OF PROTEIN-PROTEIN INTERACTION INHIBITORS OF REPLICATION PROTEIN A
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid
Authors:Feldkamp, M.D., Patrone, J.D., Kennedy, J.P., Frank, A.O., Vangamudi, B., Pelz, N.F., Rossanese, O.W., Waterson, A.G., Fesik, S.W., Chazin, W.J.
Deposit date:2012-12-21
Release date:2013-08-14
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
4IJL
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FRAGMENT-BASED DISCOVERY OF PROTEIN-PROTEIN INTERACTION INHIBITORS OF REPLICATION PROTEIN A
Descriptor:Replication protein A 70 kDa DNA-binding subunit, {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Authors:Feldkamp, M.D., Patrone, J.D., Kennedy, J.P., Frank, A.O., Vangamudi, B., Pelz, N.F., Rossanese, O.W., Waterson, A.G., Fesik, S.W., Chazin, W.J.
Deposit date:2012-12-21
Release date:2013-08-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
4LUO
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FRAGMENT-BASED DISCOVERY OF A POTENT INHIBITOR OF REPLICATION PROTEIN A PROTEIN-PROTEIN INTERACTIONS
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
Authors:Feldkamp, M.D., Frank, A.O., Kennedy, J.P., Waterson, A.G., Olejniczak, E.T., Pelz, N.F., Patrone, J.D., Vangamudi, B., Camper, D.V., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2013-07-25
Release date:2013-12-11
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LUV
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FRAGMENT-BASED DISCOVERY OF A POTENT INHIBITOR OF REPLICATION PROTEIN A PROTEIN-PROTEIN INTERACTIONS
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
Authors:Feldkamp, M.D., Frank, A.O., Kennedy, J.P., Waterson, A.G., Olejnczak, E.O., Pelz, N.F., Patrone, J.D., Vangamudi, B., Camper, D.V., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2013-07-25
Release date:2013-12-11
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LUZ
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FRAGMENT-BASED DISCOVERY OF A POTENT INHIBITOR OF REPLICATION PROTEIN A PROTEIN-PROTEIN INTERACTIONS
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid
Authors:Feldkamp, M.D., Frank, A.O., Kennedy, J.P., Waterson, A.G., Olejnczak, E.O., Pelz, N.F., Patrone, J.D., Vangamudi, B., Camper, D.V., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2013-07-25
Release date:2013-12-11
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LW1
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FRAGMENT-BASED DISCOVERY OF A POTENT INHIBITOR OF REPLICATION PROTEIN A PROTEIN-PROTEIN INTERACTIONS
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid
Authors:Feldkamp, M.D., Frank, A.O., Kennedy, J.P., Waterson, A.G., Olejnczak, E.O., Pelz, N.F., Patrone, J.D., Vangamudi, B., Camper, D.V., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2013-07-26
Release date:2013-12-11
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LWC
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FRAGMENT-BASED DISCOVERY OF A POTENT INHIBITOR OF REPLICATION PROTEIN A PROTEIN-PROTEIN INTERACTIONS
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid
Authors:Feldkamp, M.D., Frank, A.O., Kennedy, J.P., Waterson, A.G., Olejnczak, E.O., Pelz, N.F., Patrone, J.D., Vangamudi, B., Camper, D.V., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2013-07-26
Release date:2013-12-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4NB3
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CRYSTAL STRUCTURE OF RPA70N IN COMPLEX WITH A 3,4 DICHLOROPHENYLALANINE ATRIP DERIVED PEPTIDE
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 3,4 dichlorophenylalanine ATRIP derived peptide
Authors:Feldkamp, M.D., Frank, A.O., Vangamudi, B., Souza-Fagundes, E.M., Luzwik, J.W., Cortez, D., Olejniczak, O.T., Waterson, A.G., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2013-10-22
Release date:2014-02-26
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of a Potent Stapled Helix Peptide That Binds to the 70N Domain of Replication Protein A.
J.Med.Chem., 57, 2014
4O0A
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FRAGMENT-BASED DISCOVERY OF A POTENT INHIBITOR OF REPLICATION PROTEIN A PROTEIN-PROTEIN INTERACTIONS
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
Authors:Feldkamp, M.D., Frank, A.O., Kennedy, J.P., Waterson, A.G., Olejniczak, E.T., Pelz, N.F., Patrone, J.D., Vangamudi, B., Camper, D.V., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2013-12-13
Release date:2014-01-08
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J. Med. Chem., 56, 2013
4R4C
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STRUCTURE OF RPA70N IN COMPLEX WITH 5-(4-((4-(5-CARBOXYFURAN-2-YL)-2-CHLOROBENZAMIDO)METHYL)PHENYL)-1-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
Authors:Feldkamp, M.D., Waterson, A.G., Kennedy, J.P., Patrone, J.D., Pelz, N.F., Frank, A.O., Vangamudi, B., Sousa-Fagundes, E.M., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2014-08-19
Release date:2014-11-19
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Diphenylpyrazoles as replication protein a inhibitors.
ACS Med Chem Lett, 6, 2015
4R4I
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STRUCTURE OF RPA70N IN COMPLEX WITH 5-(4-((6-(5-CARBOXYFURAN-2-YL)-1-THIOXO-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)METHYL)PHENYL)-1-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
Authors:Feldkamp, M.D., Waterson, A.G., Kennedy, J.P., Patrone, J.D., Pelz, N.F., Frank, A.O., Vangamudi, B., Sousa-Fagundes, E.M., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2014-08-19
Release date:2014-11-19
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Diphenylpyrazoles as replication protein a inhibitors.
ACS Med Chem Lett, 6, 2015
4R4O
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CRYSTAL STRUCTURE OF RPA70N IN COMPLEX WITH 5-(4-((4-(5-CARBOXYFURAN-2-YL)BENZYL)CARBAMOTHIOYL)PHENYL)-1-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
Authors:Feldkamp, M.D., Waterson, A.G., Kennedy, J.P., Patrone, J.D., Pelz, N.F., Frank, A.O., Vangamudi, B., Sousa-Fagundes, E.M., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2014-08-19
Release date:2014-11-19
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Diphenylpyrazoles as replication protein a inhibitors.
ACS Med Chem Lett, 6, 2015
4R4Q
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CRYSTAL STRUCTURE OF RPA70N IN COMPLEX WITH 5-(3-((N-(4-(5-CARBOXYFURAN-2-YL)BENZYL)ACETAMIDO)METHYL)PHENYL)-1-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
Authors:Feldkamp, M.D., Waterson, A.G., Kennedy, J.P., Patrone, J.D., Pelz, N.F., Frank, A.O., Vangamudi, B., Sousa-Fagundes, E.M., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2014-08-19
Release date:2014-11-19
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Diphenylpyrazoles as replication protein a inhibitors.
ACS Med Chem Lett, 6, 2015
4R4T
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CRYSTAL STRUCTURE OF RPA70N IN COMPLEX WITH 5-(4-((4-(5-CARBOXYFURAN-2-YL)PHENYLTHIOAMIDO)METHYL)PHENYL)-1-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
Authors:Feldkamp, M.D., Waterson, A.G., Kennedy, J.P., Patrone, J.D., Pelz, N.F., Frank, A.O., Vangamudi, B., Sousa-Fagundes, E.M., Rossanese, O.W., Fesik, S.W., Chazin, W.J.
Deposit date:2014-08-19
Release date:2014-11-19
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Diphenylpyrazoles as replication protein a inhibitors.
ACS Med Chem Lett, 6, 2015
5E7N
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CRYSTAL STRUCTURE OF RPA70N IN COMPLEX WITH VU0085636
Descriptor:Replication protein A 70 kDa DNA-binding subunit, 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid
Authors:Gilston, B.A., Patrone, J.D., Pelz, N.F., Bates, B.S., Souza-Fagundes, E.M., Vangamudi, B., Camper, D., Kuznetsov, A., Browning, C.F., Feldkamp, M.D., Olejniczak, E.T., Rossanese, O.W., Waterson, A.G., Fesik, S.W., Chazin, W.J.
Deposit date:2015-10-12
Release date:2016-01-27
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A.
Chemmedchem, 11, 2016
6BVI
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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 (1.746 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 2018
6BVK
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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
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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
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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
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