Author results

3QXT
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STRUCTURE OF AN ANTI-METHOTREXATE CDR1-3 GRAFT VHH ANTIBODY IN COMPLEX WITH METHOTREXATE
Descriptor:Anti-Methotrexate CDR1-3 Graft VHH, METHOTREXATE, SODIUM ION
Authors:Fanning, S.W., Horn, J.R.
Deposit date:2011-03-02
Release date:2011-07-06
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QXU
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FREE STRUCTURE OF AN ANTI-METHOTREXATE CDR1-3 GRAFT VHH ANTIBODY
Descriptor:Anti-Methotrexate CDR1-3 Graft, FORMIC ACID
Authors:Fanning, S.W., Horn, J.R.
Deposit date:2011-03-02
Release date:2011-07-06
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QXV
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STRUCTURE OF AN ANTI-METHOTREXATE CDR1-4 GRAFT VHH ANTIBODY IN COMPLEX WITH METHOTREXATE
Descriptor:Anti-Methotrexate CDR1-4 Graft VHH, METHOTREXATE, SULFATE ION
Authors:Fanning, S.W., Horn, J.R.
Deposit date:2011-03-02
Release date:2011-07-27
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QXW
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FREE STRUCTURE OF AN ANTI-METHOTREXATE CDR1-4 GRAFT VHH ANTIBODY
Descriptor:Anti-Methotrexate CDR1-4 Graft VHH, SODIUM ION, SULFATE ION
Authors:Fanning, S.W., Horn, J.R.
Deposit date:2011-03-02
Release date:2011-07-27
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
4POU
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VHH-METAL IN COMPLEX WITH RNASE A
Descriptor:Ribonuclease pancreatic, VHH Antibody
Authors:Fanning, S.W., Walter, R., Horn, J.R.
Deposit date:2014-02-26
Release date:2014-09-24
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
4POY
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ENGINEERED DUAL SPECIFIC VHH ANTIBODY
Descriptor:VHH-metal
Authors:Fanning, S.W., Walter, R., Horn, J.R.
Deposit date:2014-02-26
Release date:2014-09-24
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
4PPT
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ENGINEERED DUAL SPECIFIC VHH ANTIBODY IN COMPLEX WITH A NICKEL (II) ION
Descriptor:Engineered single domain VHH antibody, NICKEL (II) ION, SULFATE ION
Authors:Fanning, S.W., Walter, R., Horn, J.R.
Deposit date:2014-02-27
Release date:2014-09-03
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
4PXM
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THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN D538G MUTANT IN COMPLEX WITH ESTRADIOL AND A GLUCOCORTICOID RECEPTOR-INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, ESTRADIOL
Authors:Fanning, S.W., Panchamukhi, S., Greene, G.L.
Deposit date:2014-03-24
Release date:2015-04-08
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
4Q13
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APO ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN D538G MUTANT WITH A GLUCOCORTICOID RECEPTOR-INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Glucocorticoid receptor-interacting protein 1 NR box II peptide
Authors:Fanning, S.W., Panchamukhi, S., Greene, G.L.
Deposit date:2014-04-02
Release date:2015-04-08
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
4Q50
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THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN D538G MUTANT IN COMPLEX WITH 4-HYDROXYTAMOXIFEN
Descriptor:Estrogen receptor, 4-HYDROXYTAMOXIFEN, SULFATE ION
Authors:Fanning, S.W., Greene, G.L.
Deposit date:2014-04-15
Release date:2015-04-15
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
4XI3
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH BAZEDOXIFENE
Descriptor:Estrogen receptor, Bazedoxifene
Authors:Fanning, S.W., Mayne, C.G., Toy, W., Carlson, K., Greene, B., Nowak, J., Walter, R., Panchamukhi, S., Tajhorshid, E., Nettles, K.W., Chandarlapaty, S., Katzenellenbogen, J., Greene, G.L.
Deposit date:2015-01-06
Release date:2016-01-13
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Biochemical and Structural Basis for Constitutive Activity and Reduced SERM Potency in Acquired SERM/AI Resistant Metastatic Breast Cancers via ESR1 Somatic Mutation
To Be Published
5UFW
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH OP1154
Descriptor:Estrogen receptor, (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol
Authors:Fanning, S.W., Hodges-Gallagher, L., Myles, D.C., Sun, R., Fowler, C.E., Green, B.D., Harmon, C.L., Greene, G.L., Kushner, P.J.
Deposit date:2017-01-06
Release date:2018-01-10
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.583 Å)
Cite:Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
5UFX
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH OP1074
Descriptor:Estrogen receptor, (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol
Authors:Fanning, S.W., Hodges-Gallagher, L., Myles, D.C., Sun, R., Fowler, C.E., Green, B.D., Harmon, C.L., Greene, G.L., Kushner, P.J.
Deposit date:2017-01-06
Release date:2018-01-10
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.5503 Å)
Cite:Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
6C42
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH OP1156
Descriptor:Estrogen receptor, (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol
Authors:Fanning, S.W., Hodges-Gallager, L., Myles, D.C., Sun, R., Fowler, C.E., Green, B.D., Harmon, C.L., Greene, G.L., Kushner, P.J.
Deposit date:2018-01-11
Release date:2018-02-14
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
6CZN
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH Z2OHTPE AND A GLUCOCORTICOID RECEPTOR-INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, GRIP Peptide, 4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol
Authors:Fanning, S.W., Han, R., Maximov, P., Jordan, V.C., Greene, G.L.
Deposit date:2018-04-09
Release date:2019-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II peptide
To Be Published
6D0F
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH 3OHTPE AND GRIP PEPTIDE
Descriptor:Estrogen receptor, GRIP Peptide, 4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol
Authors:Fanning, S.W., Han, R., Maximov, P., Jordan, V.C., Greene, G.L.
Deposit date:2018-04-10
Release date:2019-04-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide
To Be Published
5T1Z
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH ETHOXYTRIPHENYLETHYLENE AND GRIP PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol
Authors:Fanning, S.W., Rajan, S.S., Maximov, P.Y., Abderrahman, B.H., Surojeet, S., Fernandes, D.J., Fan, P., Curpan, R.F., Greene, G.L., Jordan, V.C.
Deposit date:2016-08-22
Release date:2017-08-30
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
5W9C
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN C381S, C417S, C530S IN COMPLEX WITH 4-HYDROXYTAMOXIFEN
Descriptor:Estrogen receptor, 4-HYDROXYTAMOXIFEN
Authors:Fanning, S.W., Greene, G.W.
Deposit date:2017-06-23
Release date:2018-06-13
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
5W9D
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN C381S, C417S, C530S MUTANT IN COMPLEX WITH ENDOXIFEN
Descriptor:Estrogen receptor, Endoxifen
Authors:Fanning, S.W., Greene, G.L.
Deposit date:2017-06-23
Release date:2017-10-11
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.6464 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
6CBZ
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH ESTRADIOL AND GRIP PEPTIDE
Descriptor:Estrogen receptor, grip peptide, ESTRADIOL, ...
Authors:Fanning, S.W., Greene, G.L.
Deposit date:2018-02-05
Release date:2018-02-28
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
5DXB
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH STAPLED PEPTIDE SRC2-P1 AND ESTRADIOL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, ESTRADIOL, ...
Authors:Fanning, S.W., Speltz, T.E., Mayne, C.G., Tajkhorshid, E., Greene, G.L., Moore, T.W.
Deposit date:2015-09-23
Release date:2016-07-27
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Angew. Chem. Int. Ed. Engl., 55, 2016
5DXE
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH STAPLED PEPTIDE SRC2-P4 AND ESTRADIOL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, ESTRADIOL
Authors:Fanning, S.W., Speltz, T.E., Mayne, C.G., Tajkhorshid, E., Greene, G.L., Moore, T.W.
Deposit date:2015-09-23
Release date:2016-08-03
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Angew.Chem.Int.Ed.Engl., 55, 2016
5DXG
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH STAPLED PEPTIDE SRC2-P5
Descriptor:Estrogen receptor, Stapled Peptide SRC2-P5, ESTRADIOL, ...
Authors:Fanning, S.W., Speltz, T.E., Mayne, C.G., Tajkhorshid, E., Greene, G.L., Moore, T.W.
Deposit date:2015-09-23
Release date:2016-07-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Angew. Chem. Int. Ed. Engl., 55, 2016
5HYR
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH STAPLED PEPTIDE SRC2-SP2 AND ESTRADIOL
Descriptor:Estrogen receptor, Stapled Peptide SRC2-SP2, ESTRADIOL, ...
Authors:Fanning, S.W., Speltz, T.E., Mayne, C.G., Tajkhorshid, E., Greene, G.L., Moore, T.W.
Deposit date:2016-02-01
Release date:2016-05-25
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Angew.Chem.Int.Ed.Engl., 55, 2016
5WGD
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH ESTRADIOL AND SRC2-LP1
Descriptor:Estrogen receptor, (ACE)HKILHKLLQDS(NH2), (ACE)AILHKLLQDS(NH2), ...
Authors:Fanning, S.W., Speltz, T.E., Mayne, C.G., Siddiqui, Z., Greene, G.L., Tajkhorshid, E., Moore, T.W.
Deposit date:2017-07-14
Release date:2018-06-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A "cross-stitched" peptide with improved helicity and proteolytic stability.
Org. Biomol. Chem., 16, 2018
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