Author results

5V83
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STRUCTURE OF DCN1 BOUND TO NACM-HIT
Descriptor:Lysozyme,DCN1-like protein 1 chimera, N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K., Schulman, B.A., Scott, D.C., Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
5V86
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STRUCTURE OF DCN1 BOUND TO NACM-OPT
Descriptor:Lysozyme,DCN1-like protein 1, N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea
Authors:Guy, R.K., Schulman, B.A., Scott, D.C., Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
5V88
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STRUCTURE OF DCN1 BOUND TO NACM-COV
Descriptor:Lysozyme,DCN1-like protein 1, N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide
Authors:Guy, R.K., Schulman, B.A., Scott, D.C., Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
5V89
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STRUCTURE OF DCN4 PONY DOMAIN BOUND TO CUL1 WHB
Descriptor:DCN1-like protein 4, Cullin-1
Authors:Guy, R.K., Schulman, B.A., Scott, D.C., Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
6BG3
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STRUCTURE OF (3S,4S)-1-BENZYL-4-(3-(3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PIPERIDIN-3-YL ACETATE BOUND TO DCN1
Descriptor:Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K., Schulman, B.A., Scott, D.C., Hammill, J.T.
Deposit date:2017-10-27
Release date:2018-09-26
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
6BG5
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STRUCTURE OF 1-(BENZO[D][1,3]DIOXOL-5-YLMETHYL)-1-(1-PROPYLPIPERIDIN-4-YL)-3-(3-(TRIFLUOROMETHYL)PHENYL)UREA BOUND TO DCN1
Descriptor:Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K., Schulman, B.A., Scott, D.C., Hammill, J.T.
Deposit date:2017-10-27
Release date:2018-09-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
1T5Z
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CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING DOMAIN (LBD) WITH DHT AND A PEPTIDE DERIVED FROM ITS PHYSIOLOGICAL COACTIVATOR ARA70
Descriptor:Androgen receptor, Nuclear receptor coactivator 4, 5-ALPHA-DIHYDROTESTOSTERONE
Authors:Estebanez-Perpina, E., Moore, J.M.R., Mar, E., Nguyen, P., Delgado-Rodrigues, E., Baxter, J.D., Webb, P., Fletterick, R.J., Guy, R.K.
Deposit date:2004-05-05
Release date:2005-01-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
1T63
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CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING DOMAIN WITH DHT AND A PEPTIDE DERIVED FROM ITS PHYSIOLOGICAL COACTIVATOR GRIP1 NR BOX3
Descriptor:Androgen receptor, Nuclear receptor coactivator 2, 5-ALPHA-DIHYDROTESTOSTERONE
Authors:Estebanez-Perpina, E., Moore, J.M.R., Mar, E., Nguyen, P., Delgado-Rodrigues, E., Baxter, J.D., Webb, P., Fletterick, R.J., Guy, R.K.
Deposit date:2004-05-05
Release date:2005-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
1T65
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CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING DOMAIN WITH DHT AND A PEPTIDE DERIVED FORM ITS PHYSIOLOGICAL COACTIVATOR GRIP1 NR BOX 2 BOUND IN A NON-HELICAL CONFORMATION
Descriptor:Androgen receptor, Nuclear receptor coactivator 2, 5-ALPHA-DIHYDROTESTOSTERONE
Authors:Estebanez-Perpina, E., Moore, J.M.R., Mar, E., Nguyen, P., Delgado-Rodrigues, E., Baxter, J.D., Webb, P., Fletterick, R.J., Guy, R.K.
Deposit date:2004-05-05
Release date:2005-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
1XJ7
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COMPLEX ANDROGEN RECEPTOR LBD AND RAC3 PEPTIDE
Descriptor:Androgen receptor, RAC3 derived peptide, 5-ALPHA-DIHYDROTESTOSTERONE
Authors:Estebanez-Perpina, E., Moore, J.M.R., Mar, E., Nguyen, P., Delgado-Rodrigues, E., Baxter, J.D., Buehrer, B.M., Webb, P., Fletterick, R.J., Guy, R.K.
Deposit date:2004-09-22
Release date:2005-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor
J.Biol.Chem., 280, 2005
1YOK
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CRYSTAL STRUCTURE OF HUMAN LRH-1 BOUND WITH TIF-2 PEPTIDE AND PHOSPHATIDYLGLYCEROL
Descriptor:Orphan nuclear receptor NR5A2, Nuclear receptor coactivator 2, (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE
Authors:Krylova, I.N., Sablin, E.P., Moore, J., Xu, R.X., Waitt, G.M., MacKay, J.A., Juzumiene, D., Bynum, J.M., Madauss, K., Montana, V., Lebedeva, L., Suzawa, M., Williams, J.D., Williams, S.P., Guy, R.K., Thornton, J.W., Fletterick, R.J., Willson, T.M., Ingraham, H.A.
Deposit date:2005-01-27
Release date:2005-07-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1.
Cell(Cambridge,Mass.), 120, 2005
1YOW
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HUMAN STEROIDOGENIC FACTOR 1 LBD WITH BOUND CO-FACTOR PEPTIDE
Descriptor:Steroidogenic factor 1, TIF2 peptide, PHOSPHATIDYL ETHANOL
Authors:Krylova, I.N., Sablin, E.P., Xu, R.X., Waitt, G.M., Juzumiene, D., Williams, J.D., Ingraham, H.A., Willson, T.M., Williams, S.P., Montana, V., Madauss, K.P., Moore, J., Bynum, J.M., Lebedeva, L., MacKay, J.A., Suzawa, M., Guy, R.K., Thornton, J.W.
Deposit date:2005-01-28
Release date:2005-05-10
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
2PIO
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ANDROGEN RECEPTOR LBD WITH SMALL MOLECULE
Descriptor:Androgen receptor, SULFATE ION, 5-ALPHA-DIHYDROTESTOSTERONE, ...
Authors:Estebanez-Perpina, E., Arnold, A.A., Baxter, J.D., Webb, P., Guy, R.K., Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIP
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ANDROGEN RECEPTOR LBD WITH SMALL MOLECULE
Descriptor:Androgen receptor, SULFATE ION, 5-ALPHA-DIHYDROTESTOSTERONE, ...
Authors:Estebanez-Perpina, E., Arnold, A.A., Baxter, J.D., Webb, P., Guy, R.K., Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIQ
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ANDROGEN RECEPTOR LBD WITH SMALL MOLECULE
Descriptor:Androgen receptor, SULFATE ION, 5-ALPHA-DIHYDROTESTOSTERONE, ...
Authors:Estebanez-Perpina, E., Arnold, A.A., Baxter, J.D., Webb, P., Guy, R.K., Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIR
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ANDROGEN RECEPTOR LBD WITH SMALL MOLECULE
Descriptor:Androgen receptor, SULFATE ION, 5-ALPHA-DIHYDROTESTOSTERONE, ...
Authors:Estebanez-Perpina, E., Arnold, A.A., Baxter, J.D., Webb, P., Guy, R.K., Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIT
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ANDROGEN RECEPTOR LBD WITH SMALL MOLECULE
Descriptor:Androgen receptor, SULFATE ION, 5-ALPHA-DIHYDROTESTOSTERONE, ...
Authors:Estebanez-Perpina, E., Arnold, A.A., Baxter, J.D., Webb, P., Guy, R.K., Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIU
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ANDROGEN RECEPTOR LBD WITH SMALL MOLECULE
Descriptor:Androgen receptor, 5-ALPHA-DIHYDROTESTOSTERONE, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Authors:Estebanez-Perpina, E., Arnold, A.A., Baxter, J.D., Webb, P., Guy, R.K., Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIV
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ANDROGEN RECEPTOR WITH SMALL MOLECULE
Descriptor:Androgen receptor, SULFATE ION, 5-ALPHA-DIHYDROTESTOSTERONE, ...
Authors:Estebanez-Perpina, E., Arnold, A.A., Baxter, J.D., Webb, P., Guy, R.K., Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIW
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ANDROGEN RECEPTOR WITH SMALL MOLECULE
Descriptor:Androgen receptor, 5-ALPHA-DIHYDROTESTOSTERONE, 3,5,3'TRIIODOTHYRONINE
Authors:Estebanez-Perpina, E., Arnold, A.A., Baxter, J.D., Webb, P., Guy, R.K., Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIX
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AR LBD WITH SMALL MOLECULE
Descriptor:Androgen receptor, 5-ALPHA-DIHYDROTESTOSTERONE, 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID
Authors:Estebanez-Perpina, E., Arnold, A.A., Baxter, J.D., Webb, P., Guy, R.K., Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2YLO
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TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
Descriptor:ANDROGEN RECEPTOR, TESTOSTERONE, SULFATE ION, ...
Authors:Lack, N.A., Axerio, P., Tavassoli, P., Kuchenbecker, K., Han, F.Q., Chan, K.H., Feau, C., LeBlanc, E., Tomlinson, E., Guy, R.K., Rennie, P.S., Cherkasov, A.
Deposit date:2011-06-04
Release date:2011-07-06
Last modified:2012-01-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
2YLP
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TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
Descriptor:ANDROGEN RECEPTOR, SULFATE ION, TESTOSTERONE, ...
Authors:Lack, N.A., Axerio, P., Tavassoli, P., Kuchenbecker, K., Han, F.Q., Chan, K.H., Feau, C., LeBlanc, E., Tomlinson, E., Guy, R.K., Rennie, P.S., Cherkasov, A.
Deposit date:2011-06-04
Release date:2011-07-06
Last modified:2012-01-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
2YLQ
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TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
Descriptor:ANDROGEN RECEPTOR, SULFATE ION, TESTOSTERONE, ...
Authors:Lack, N.A., Axerio, P., Tavassoli, P., Kuchenbecker, K., Han, F.Q., Chan, K.H., Feau, C., LeBlanc, E., Tomlinson, E., Guy, R.K., Rennie, P.S., Cherkasov, A.
Deposit date:2011-06-04
Release date:2011-07-06
Last modified:2012-01-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
3ZQT
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TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
Descriptor:ANDROGEN RECEPTOR, TESTOSTERONE, SULFATE ION, ...
Authors:Lack, N.A., Axerio, P., Tavassoli, P., Kuchenbecker, K., Han, F.Q., Chan, K.H., Feau, C., LeBlanc, E., Tomlinson, E., Guy, R.K., Rennie, P.S., Cherkasov, A.
Deposit date:2011-06-10
Release date:2011-12-07
Last modified:2012-01-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
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