4EPW | | 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
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4EPX | | 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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4EPY | | 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
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4PZY | | 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 (1.88 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
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4PZZ | | 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
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4Q01 | | 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
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4Q02 | | 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
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4Q03 | | 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
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4Y7R | | CRYSTAL STRUCTURE OF WDR5 IN COMPLEX WITH MYC MBIIIB PEPTIDE | | Descriptor: | WD repeat-containing protein 5, MYC MbIIIb peptide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Sun, Q., Phan, J., Olejniczak, E.T., Thomas, L.R., Fesik, S.W., Tansey, W.P. | | Deposit date: | 2015-02-16 | | Release date: | 2015-04-15 | | Last modified: | 2017-09-20 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
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5E7N | | 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
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1CYA | |
1CYB | |
5UJB | | STRUCTURE OF A MCL-1 INHIBITOR BINDING TO SITE 3 OF HUMAN SERUM ALBUMIN | | Descriptor: | Serum albumin, 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, PHOSPHATE ION | | Authors: | Zhao, B. | | Deposit date: | 2017-01-17 | | Release date: | 2017-05-03 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin.
Bioorg. Med. Chem., 25, 2017
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1DDF | | FAS DEATH DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | FAS | | Authors: | Huang, B., Eberstadt, M., Olejniczak, E., Meadows, R.P., Fesik, S. | | Deposit date: | 1996-11-08 | | Release date: | 1997-11-12 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | NMR structure and mutagenesis of the Fas (APO-1/CD95) death domain.
Nature, 384, 1996
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4NB3 | | 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
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2GMX | |
4HW2 | | DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, TRIETHYLENE GLYCOL, ... | | Authors: | Zhao, B. | | Deposit date: | 2012-11-07 | | Release date: | 2013-01-09 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.8 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
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4HW3 | | DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid | | Authors: | Zhao, B. | | Deposit date: | 2012-11-07 | | Release date: | 2013-01-09 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.4 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
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4HW4 | |
4LUO | | 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
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4NYI | | APPROACH FOR TARGETING RAS WITH SMALL MOLECULES THAT ACTIVATE SOS-MEDIATED NUCLEOTIDE EXCHANGE | | Descriptor: | GTPase HRas, Son of sevenless homolog 1, MAGNESIUM ION, ... | | Authors: | Burns, M.C., Sun, Q., Phan, J., Fesik, S.W. | | Deposit date: | 2013-12-10 | | Release date: | 2014-03-12 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (2.9612 Å) | | Cite: | Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4NYJ | | APPROACH FOR TARGETING RAS WITH SMALL MOLECULES THAT ACTIVATE SOS-MEDIATED NUCLEOTIDE EXCHANGE | | Descriptor: | GTPase HRas, Son of sevenless homolog 1, MAGNESIUM ION, ... | | Authors: | Burns, M.C., Sun, Q., Phan, J., Fesik, S.W. | | Deposit date: | 2013-12-10 | | Release date: | 2014-03-12 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (2.8522 Å) | | Cite: | Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4NYM | | APPROACH FOR TARGETING RAS WITH SMALL MOLECULES THAT ACTIVATE SOS-MEDIATED NUCLEOTIDE EXCHANGE | | Descriptor: | GTPase HRas, Son of sevenless homolog 1, MAGNESIUM ION, ... | | Authors: | Burns, M.C., Sun, Q., Phan, J., Fesik, S.W. | | Deposit date: | 2013-12-10 | | Release date: | 2014-03-12 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (3.5529 Å) | | Cite: | Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4O0A | | 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
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4ZBF | | MCL-1 COMPLEXED WITH SMALL MOLECULES | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide | | Authors: | Zhao, B. | | Deposit date: | 2015-04-14 | | Release date: | 2015-04-29 | | Last modified: | 2017-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
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