Author results

1ESL
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INSIGHT INTO E-SELECTIN(SLASH)LIGAND INTERACTION FROM THE CRYSTAL STRUCTURE AND MUTAGENESIS OF THE LEC(SLASH)EGF DOMAINS
Descriptor:HUMAN E-SELECTIN, CALCIUM ION, CHLORIDE ION
Authors:Graves, B.J., Crowther, R.L.
Deposit date:1994-06-03
Release date:1994-08-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into E-selectin/ligand interaction from the crystal structure and mutagenesis of the lec/EGF domains.
Nature, 367, 1994
2ILA
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STRUCTURE OF INTERLEUKIN 1ALPHA AT 2.7-ANGSTROMS RESOLUTION
Descriptor:INTERLEUKIN-1 ALPHA
Authors:Graves, B.J., Hatada, M.H.
Deposit date:1991-05-01
Release date:1992-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of interleukin 1 alpha at 2.7-A resolution.
Biochemistry, 29, 1990
3KMM
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STRUCTURE OF HUMAN LCK KINASE WITH A SMALL MOLECULE INHIBITOR
Descriptor:Proto-oncogene tyrosine-protein kinase LCK, 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, SULFATE ION
Authors:Graves, B.J., Surgenor, A., Harris, W., Smith, I., Orchard, S., Flotow, H., Murray, E.
Deposit date:2009-11-10
Release date:2010-12-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human LCK kinase with a small molecule inhibitor
To be Published
1HXB
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HIV-1 PROTEINASE COMPLEXED WITH RO 31-8959
Descriptor:HIV-1 PROTEASE, (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
Authors:Graves, B.J., Hatada, M.H., Crowther, R.L.
Deposit date:1996-09-13
Release date:1997-03-12
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere.
J.Med.Chem., 34, 1991
1MD0
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CRYSTAL STRUCTURE OF AN INHIBITED FRAGMENT OF ETS-1
Descriptor:C-ets-1 protein
Authors:Garvie, C.W., Pufall, M.A., Graves, B.J., Wolberger, C.
Deposit date:2002-08-06
Release date:2002-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of the Autoinhibition of Ets-1 and Its Role in Protein Partnerships
J.Biol.Chem., 277, 2002
1MDM
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INHIBITED FRAGMENT OF ETS-1 AND PAIRED DOMAIN OF PAX5 BOUND TO DNA
Descriptor:PAX5/ETS BINDING SITE ON THE MB-1 PROMOTER, PAIRED BOX PROTEIN PAX-5, C-ETS-1 PROTEIN
Authors:Garvie, C.W., Pufall, M.A., Graves, B.J., Wolberger, C.
Deposit date:2002-08-07
Release date:2002-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:STRUCTURAL ANALYSIS OF THE AUTOINHIBITION OF ETS-1 AND ITS ROLE IN PROTEIN PARTNERSHIPS
J.Biol.Chem., 277, 2002
1R36
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NMR-BASED STRUCTURE OF AUTOINHIBITED MURINE ETS-1 DELTAN301
Descriptor:C-ets-1 protein
Authors:Lee, G.M., Donaldson, L.W., Pufall, M.A., Kang, H.-S., Pot, I., Graves, B.J., McIntosh, L.P.
Deposit date:2003-09-30
Release date:2004-11-09
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The Structural and Dynamic Basis of Ets-1 DNA Binding Autoinhibition
J.Biol.Chem., 280, 2005
2JUO
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GABPA OST DOMAIN
Descriptor:GA-binding protein alpha chain
Authors:Kang, H., Nelson, M.L., Mackereth, C.D., Schaerpf, M., Graves, B.J., McIntosh, L.P.
Deposit date:2007-08-31
Release date:2008-04-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Identification and structural characterization of a CBP/p300-binding domain from the ETS family transcription factor GABP alpha
J.Mol.Biol., 377, 2008
2KMD
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RAS SIGNALING REQUIRES DYNAMIC PROPERTIES OF ETS1 FOR PHOSPHORYLATION-ENHANCED BINDING TO CO-ACTIVATOR CBP
Descriptor:Protein C-ets-1
Authors:Nelson, M.L., Kang, H., Lee, G.M., Blaszczak, A.G., Lau, D.K.W., McIntosh, L.P., Graves, B.J.
Deposit date:2009-07-27
Release date:2010-05-05
Last modified:2012-03-21
Method:SOLUTION NMR
Cite:Ras signaling requires dynamic properties of Ets1 for phosphorylation-enhanced binding to coactivator CBP.
Proc.Natl.Acad.Sci.USA, 107, 2010
2LF7
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INTRAMOLECULAR REGULATION OF THE ETS DOMAIN WITHIN ETV6 SEQUENCE R335 TO Q436
Descriptor:Transcription factor ETV6
Authors:Coyne III, H., Green, S.M., Graves, B.J., Mcintosh, L.P.
Deposit date:2011-06-28
Release date:2012-05-23
Last modified:2012-07-25
Method:SOLUTION NMR
Cite:Autoinhibition of ETV6 (TEL) DNA Binding: Appended Helices Sterically Block the ETS Domain.
J.Mol.Biol., 421, 2012
2LF8
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INTRAMOLECULAR REGULATION OF THE ETS DOMAIN WITHIN ETV6 SEQUENCE R335 TO R458
Descriptor:Transcription factor ETV6
Authors:Coyne III, H., Green, S.M., Graves, B.J., Mcintosh, L.P.
Deposit date:2011-06-28
Release date:2012-05-23
Last modified:2012-07-25
Method:SOLUTION NMR
Cite:Autoinhibition of ETV6 (TEL) DNA Binding: Appended Helices Sterically Block the ETS Domain.
J.Mol.Biol., 421, 2012
2MD5
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STRUCTURE OF UNINHIBITED ETV6 ETS DOMAIN
Descriptor:Transcription factor ETV6
Authors:De, S., Mcintosh, L.P., Chan, A.C., Coyne, H.J., Okon, M., Graves, B.J., Murphy, M.E.
Deposit date:2013-08-29
Release date:2013-12-25
Last modified:2014-04-02
Method:SOLUTION NMR
Cite:Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.
J.Mol.Biol., 426, 2014
4MHG
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CRYSTAL STRUCTURE OF ETV6 BOUND TO A SPECIFIC DNA SEQUENCE
Descriptor:Specific 14 bp DNA, Complementary Specific 14 bp DNA, Transcription factor ETV6
Authors:Chan, A.C., De, S., Coyne III, H.J., Okon, M., Murphy, M.E., Graves, B.J., McIntosh, L.P.
Deposit date:2013-08-29
Release date:2014-01-08
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.
J.Mol.Biol., 426, 2014
6DA1
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ETS1 IN COMPLEX WITH SYNTHETIC SRR MIMIC
Descriptor:Protein C-ets-1, serine-rich region (SRR) peptide, SULFATE ION
Authors:Perez-Borrajero, C., Okon, M., Lin, C.S., Scheu, K., Murphy, M.E.P., Graves, B.J., McIntosh, L.P.
Deposit date:2018-05-01
Release date:2019-01-16
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.000127 Å)
Cite:The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor.
J. Mol. Biol., 431, 2019
6DAT
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ETS1 IN COMPLEX WITH SYNTHETIC SRR MIMIC
Descriptor:Protein C-ets-1, serine-rich region (SRR) peptide, SULFATE ION
Authors:Perez-Borrajero, C., Okon, M., Lin, C.S., Scheu, K., Murphy, M.E.P., Graves, B.J., McIntosh, L.P.
Deposit date:2018-05-02
Release date:2019-01-16
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.350026 Å)
Cite:The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor.
J. Mol. Biol., 431, 2019
4J3E
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THE 1.9A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH NUTLIN-3A
Descriptor:E3 ubiquitin-protein ligase Mdm2, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, SULFATE ION
Authors:Graves, B.J., Lukacs, C.M., Kammlott, R.U., Crowther, R.
Deposit date:2013-02-05
Release date:2013-04-24
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of RG7112: A Small-Molecule MDM2 Inhibitor in Clinical Development.
ACS Med Chem Lett, 4, 2013
4IPF
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THE 1.7A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH RO5045337
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone, SULFATE ION
Authors:Graves, B.J., Lukacs, C., Kammlott, R.U., Crowther, R.
Deposit date:2013-01-09
Release date:2013-02-20
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:MDM2 Small-Molecule Antagonist RG7112 Activates p53 Signaling and Regresses Human Tumors in Preclinical Cancer Models.
Cancer Res., 73, 2013
4JRG
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THE 1.9A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH RO5313109 - A PYRROLIDINE MDM2 INHIBITOR
Descriptor:E3 ubiquitin-protein ligase Mdm2, (3R,4R,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide
Authors:Graves, B.J., Janson, C.A., Lukacs, C.
Deposit date:2013-03-21
Release date:2013-07-24
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
4LWT
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THE 1.6A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH RO5027344
Descriptor:E3 ubiquitin-protein ligase Mdm2, (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, SULFATE ION
Authors:Graves, B.J., Lukacs, C., Kammlott, U.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
4LWU
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THE 1.14A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH RO5499252
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, SULFATE ION
Authors:Graves, B.J., Lukacs, C., Janson, C.A.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
4LWV
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THE 2.3A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH RO5545353
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide, SULFATE ION
Authors:Graves, B.J., Lukacs, C., Janson, C.A.
Deposit date:2013-07-28
Release date:2014-07-02
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development.
ACS MED.CHEM.LETT., 5, 2014
4N5T
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THE 1.7A CRYSTAL STRUCTURE OF MDMX WITH A STAPLED PEPTIDE, ATSP-7041
Descriptor:Protein Mdm4, ATSP-7041 stapled-peptide
Authors:Graves, B.J., Lukacs, C., Janson, C.A.
Deposit date:2013-10-10
Release date:2013-11-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stapled alpha-helical peptide drug development: a potent dual inhibitor of MDM2 and MDMX for p53-dependent cancer therapy.
Proc.Natl.Acad.Sci.USA, 110, 2013
2JV3
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ETS-1 PNT DOMAIN (29-138) NMR STRUCTURE ENSEMBLE
Descriptor:ETS1 proto-oncogene
Authors:Lee, G.M., Kang, H., Schaerpf, M., Slupsky, C.M., Lawrence, M.P.
Deposit date:2007-09-11
Release date:2007-10-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Ets-1 PNT domain (29-138) NMR structure ensemble
To be Published
3U15
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STRUCTURE OF HDMX WITH DIMER INDUCING INDOLYL HYDANTOIN RO-2443
Descriptor:Protein Mdm4, (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, SULFATE ION
Authors:Lukacs, C.M., Janson, C.A., Graves, B.J.
Deposit date:2011-09-29
Release date:2012-06-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VBG
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STRUCTURE OF HDM2 WITH DIMER INDUCING INDOLYL HYDANTOIN RO-2443
Descriptor:E3 ubiquitin-protein ligase Mdm2, (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione
Authors:Lukacs, C.M., Janson, C.A., Graves, B.J.
Deposit date:2012-01-02
Release date:2012-06-27
Last modified:2012-08-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization.
Proc.Natl.Acad.Sci.USA, 109, 2012
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