Author results

6NP9
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PD-L1 IGV DOMAIN V76T WITH FRAGMENT
Descriptor:Programmed cell death 1 ligand 1, SULFATE ION
Authors:Zhao, B., Perry, E.
Deposit date:2019-01-17
Release date:2019-02-20
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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
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
4JDV
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CRYSTAL STRUCTURE OF GERM-LINE PRECURSOR OF NIH45-46 FAB
Descriptor:Fab heavy chain, Fab light chain, SULFATE ION, ...
Authors:Diskin, R., Scharf, L., Bjorkman, P.J.
Deposit date:2013-02-25
Release date:2013-03-20
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for HIV-1 gp120 recognition by a germ-line version of a broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
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
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
6BVJ
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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 (1.747 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
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
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
6D5H
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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 (1.8 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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
6CUP
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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 (1.833 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
1B11
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STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093
Descriptor:PROTEIN (Feline Immunodeficiency Virus PROTEASE), SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Gustchina, A., Li, M., Wlodawer, A.
Deposit date:1998-11-25
Release date:1998-12-02
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
5FIV
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STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Descriptor:RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M., Lee, T., Morris, G., Laco, G., Wong, C., Olson, A., Elder, J., Wlodawer, A., Gustchina, A.
Deposit date:1998-12-02
Release date:1998-12-09
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
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