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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
4Q03
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SECOND-SITE SCREENING OF K-RAS IN THE PRESENCE OF COVALENTLY ATTACHED FIRST-SITE LIGANDS
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Phan, J., Friberg, A., Camper, D.V., Olejniczak, E.T., Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
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
4Q01
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SECOND-SITE SCREENING OF K-RAS IN THE PRESENCE OF COVALENTLY ATTACHED FIRST-SITE LIGANDS
Descriptor:K-Ras, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Phan, J., Friberg, A., Camper, D.V., Olejniczak, E.T., Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
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
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
4PZZ
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SECOND-SITE SCREENING OF K-RAS IN THE PRESENCE OF COVALENTLY ATTACHED FIRST-SITE LIGANDS
Descriptor:K-Ras, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Phan, J., Friberg, A., Camper, D.V., Olejniczak, E.T., Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.403 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
5FC4
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MCL-1 COMPLEXED WITH SMALL MOLECULE INHIBITOR
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol
Authors:Zhao, B.
Deposit date:2015-12-14
Release date:2016-03-02
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
4HW4
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DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide
Authors:Friberg, A., Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 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
6DAK
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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-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, DIMETHYL SULFOXIDE
Authors:Phan, J., Fesik, S.W.
Deposit date:2018-05-01
Release date:2018-09-05
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6DAI
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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, DIMETHYL SULFOXIDE, 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline
Authors:Phan, J., Fesik, S.W.
Deposit date:2018-05-01
Release date:2018-09-05
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6D55
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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., 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
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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., 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
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
6D59
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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., 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
6D5L
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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., 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
4Q02
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SECOND-SITE SCREENING OF K-RAS IN THE PRESENCE OF COVALENTLY ATTACHED FIRST-SITE LIGANDS
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Phan, J., Friberg, A., Camper, D.V., Olejniczak, E.T., Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
6CUO
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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: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
6CUR
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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: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
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
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
6D5E
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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., 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
6D5J
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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., 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
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
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