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6VJD
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BU of 6vjd by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with Lasofoxifene
Descriptor: (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2020-01-15
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Estrogen Receptor Alpha
To Be Published
6CZN
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BU of 6czn by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II peptide
Descriptor: 4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol, Estrogen receptor, GRIP Peptide
Authors:Fanning, S.W, Han, R, Maximov, P, Jordan, V.C, Greene, G.L.
Deposit date:2018-04-09
Release date:2019-03-20
Last modified:2023-10-04
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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BU of 6d0f by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide
Descriptor: 4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol, Estrogen receptor, GRIP Peptide
Authors:Fanning, S.W, Han, R, Maximov, P, Jordan, V.C, Greene, G.L.
Deposit date:2018-04-10
Release date:2019-04-17
Last modified:2023-10-04
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
5UFX
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BU of 5ufx by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1074
Descriptor: (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor
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:2023-10-04
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
5UFW
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BU of 5ufw by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154
Descriptor: (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor
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:2023-10-04
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
6VGH
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BU of 6vgh by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant In Complex with Lasofoxifene
Descriptor: (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2020-01-08
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand Binding Domain
To Be Published
6V87
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BU of 6v87 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2019-12-10
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Estrogen Receptor Alpha
To Be Published
4XI3
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BU of 4xi3 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with Bazedoxifene
Descriptor: Bazedoxifene, Estrogen receptor
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:2024-03-06
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells.
Elife, 7, 2018
3QXU
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BU of 3qxu by Molmil
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
3QXT
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BU of 3qxt by Molmil
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
3QXW
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BU of 3qxw by Molmil
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:2019-12-25
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
3QXV
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BU of 3qxv by Molmil
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
4POU
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BU of 4pou by Molmil
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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BU of 4poy by Molmil
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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BU of 4ppt by Molmil
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
4Q13
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BU of 4q13 by Molmil
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:2024-02-28
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
4PXM
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BU of 4pxm by Molmil
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: ESTRADIOL, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Fanning, S.W, Panchamukhi, S, Greene, G.L.
Deposit date:2014-03-24
Release date:2015-04-08
Last modified:2024-02-28
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
4Q50
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BU of 4q50 by Molmil
The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen receptor, SULFATE ION
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2014-04-15
Release date:2015-04-15
Last modified:2024-02-28
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
6C42
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BU of 6c42 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156
Descriptor: (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol, Estrogen receptor
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:2023-10-04
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
7N9O
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BU of 7n9o by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15)
Descriptor: 10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide, Estrogen receptor
Authors:Diennet, M, El Ezzy, M, Thiombane, K, Cotnoir-White, D, Poupart, J, Gao, Z, Mendoza, S.R, Marinier, A, Gleason, J, Mader, S.C, Fanning, S.W.
Deposit date:2021-06-18
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15)
To Be Published
5T1Z
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BU of 5t1z by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Ethoxytriphenylethylene and GRIP Peptide
Descriptor: 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
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:2023-10-04
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
6CBZ
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BU of 6cbz by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Estradiol and GRIP Peptide
Descriptor: ESTRADIOL, Estrogen receptor, GLYCEROL, ...
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2018-02-05
Release date:2018-02-28
Last modified:2020-02-26
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
5W9D
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BU of 5w9d by Molmil
Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S Mutant in Complex with Endoxifen
Descriptor: Endoxifen, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2017-06-23
Release date:2017-10-11
Last modified:2023-10-04
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
6PIT
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BU of 6pit by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with SRC2 Stapled Peptide 41A and Estradiol
Descriptor: ESTRADIOL, Estrogen receptor, Stapled Peptide 41A
Authors:Fanning, S.W, Montgomery, J.E, Greene, G.L, Moellering, R.E.
Deposit date:2019-06-27
Release date:2019-10-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Versatile Peptide Macrocyclization with Diels-Alder Cycloadditions.
J.Am.Chem.Soc., 141, 2019
6PSJ
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BU of 6psj by Molmil
Bazedoxifene in Complex with Y537S Estrogen Receptor Alpha Ligand Binding Domain
Descriptor: Bazedoxifene, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2019-07-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022

 

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