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1NHZ
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BU of 1nhz by Molmil
Crystal Structure of the Antagonist Form of Glucocorticoid Receptor
Descriptor: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, GLUCOCORTICOID RECEPTOR, HEXANE-1,6-DIOL
Authors:Kauppi, B, Jakob, C, Farnegardh, M, Yang, J, Ahola, H, Alarcon, M, Calles, K, Engstrom, O, Harlan, J, Muchmore, S, Ramqvist, A.-K, Thorell, S, Ohman, L, Greer, J, Gustafsson, J.-A, Carlstedt-Duke, J, Carlquist, M.
Deposit date:2002-12-20
Release date:2003-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Three-dimensional Structures of Antagonistic and Agonistic Forms of the Glucocorticoid Receptor Ligand-binding Domain: RU-486 INDUCES A TRANSCONFORMATION THAT LEADS TO ACTIVE ANTAGONISM.
J.Biol.Chem., 278, 2003
1P93
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BU of 1p93 by Molmil
CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR
Descriptor: DEXAMETHASONE, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Kauppi, B, Jakob, C, Farnegardh, M, Yang, J, Ahola, H, Alarcon, M, Calles, K, Engstrom, O, Harlan, J, Muchmore, S, Ramqvist, A.-K, Thorell, S, Ohman, L, Greer, J, Gustafsson, J.-A, Carlstedt-Duke, J, Carlquist, M.
Deposit date:2003-05-09
Release date:2003-07-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Three-dimensional Structures of Antagonistic and Agonistic Forms of the Glucocorticoid Receptor Ligand-binding Domain: RU-486 INDUCES A TRANSCONFORMATION THAT LEADS TO ACTIVE ANTAGONISM.
J.Biol.Chem., 278, 2003
2J7Y
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BU of 2j7y by Molmil
STRUCTURE OF 17-EPIESTRIOL-BOUND ESTROGEN RECEPTOR BETA LBD IN COMPLEX WITH LXXLL MOTIF FROM NCOA5
Descriptor: (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 1,2-ETHANEDIOL, BICARBONATE ION, ...
Authors:Pike, A.C.W, Brzozowski, A.M, Hubbard, R.E, Walton, J, Bonn, T, Thorsell, A.-G, Engstrom, O, Ljunggren, J, Gustaffson, J.-A, Carlquist, M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Agonist-Bound Estrogen Receptor Beta Lbd in Complex with Lxxll Motif from Ncoa5
To be Published
2J7X
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BU of 2j7x by Molmil
STRUCTURE OF ESTRADIOL-BOUND ESTROGEN RECEPTOR BETA LBD IN COMPLEX WITH LXXLL MOTIF FROM NCOA5
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, ESTRADIOL, ...
Authors:Pike, A.C.W, Brzozowski, A.M, Hubbard, R.E, Walton, J, Bonn, T, Thorsell, A.-G, Engstrom, O, Ljunggren, J, Gustaffson, J.-A, Carlquist, M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Agonist-Bound Estrogen Receptor Beta Lbd in Complex with Lxxll Motif from Ncoa5
To be Published
5IUQ
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BU of 5iuq by Molmil
Galectin-3c in complex with Bisamido-thiogalactoside derivative 4
Descriptor: 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside, Galectin-3
Authors:Noresson, A.-L, Aurelius, O, Oberg, C.T, Engstrom, O, Sundin, A.P, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J.
Deposit date:2016-03-18
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.121 Å)
Cite:Controlling protein:ligand complex conformation through tuning of arginine-arene interactions: Synthetic and structural studies with 3-benzamido-2-sulfo-galactosides as galectin-3 ligands
To Be Published
2XG3
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BU of 2xg3 by Molmil
Human galectin-3 in complex with a benzamido-N-acetyllactoseamine inhibitor
Descriptor: BENZAMIDE, CHLORIDE ION, Galectin-3, ...
Authors:Diehl, C, Engstrom, O, Delaine, T, Hakansson, M, Genheden, S, Modig, K, Leffler, H, Ryde, U, Nilsson, U, Akke, M.
Deposit date:2010-05-30
Release date:2010-10-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Protein flexibility and conformational entropy in ligand design targeting the carbohydrate recognition domain of galectin-3.
J. Am. Chem. Soc., 132, 2010
4BLI
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BU of 4bli by Molmil
Galectin-3c in complex with Bisamido-thiogalactoside derivate 1
Descriptor: (3-Deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide, GALECTIN-3
Authors:Noresson, A.L, Oberg, C.T, Engstrom, O, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J.
Deposit date:2013-05-03
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Controlling Protein Conformation Through Electronic Fine-Tuning of Arginine-Arene Interactions: Synthetic, Structural, and Biological Studies
To be Published
4BLJ
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BU of 4blj by Molmil
Galectin-3c in complex with Bisamido-thiogalactoside derivate 2
Descriptor: Bis-(3-deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-sulfide, GALECTIN-3
Authors:Noresson, A.L, Oberg, C.T, Engstrom, O, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J.
Deposit date:2013-05-03
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Controlling Protein Conformation Through Electronic Fine-Tuning of Arginine-Arene Interactions: Synthetic, Structural, and Biological Studies
To be Published
4BM8
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BU of 4bm8 by Molmil
Galectin-3c in complex with Bisamido-thiogalactoside derivate 3
Descriptor: (3-Deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide, GALECTIN-3
Authors:Noresson, A.L, Oberg, C.T, Engstrom, O, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J.
Deposit date:2013-05-07
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Controlling Protein Conformation Through Electronic Fine-Tuning of Arginine-Arene Interactions: Synthetic, Structural, and Biological Studies
To be Published
4URR
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BU of 4urr by Molmil
Tailspike protein of Sf6 bacteriophage bound to Shigella flexneri O- antigen octasaccharide fragment
Descriptor: 1,2-ETHANEDIOL, BIFUNCTIONAL TAIL PROTEIN, MANGANESE (II) ION, ...
Authors:Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2014-07-01
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.
J.Am.Chem.Soc., 138, 2016
1QKM
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BU of 1qkm by Molmil
HUMAN OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PARTIAL AGONIST GENISTEIN
Descriptor: ESTROGEN RECEPTOR BETA, GENISTEIN
Authors:Pike, A.C.W, Brzozowski, A.M, Carlquist, M.
Deposit date:1999-07-27
Release date:2000-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Ligand-Binding Domain of Oestrogen Receptor Beta in the Presence of a Partial Agonist and a Full Antagonist
Embo J., 18, 1999
1QKN
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BU of 1qkn by Molmil
RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH ANTAGONIST RALOXIFENE
Descriptor: ACETATE ION, ESTROGEN RECEPTOR BETA, RALOXIFENE
Authors:Pike, A.C.W, Brzozowski, A.M, Carlquist, M.
Deposit date:1999-07-27
Release date:2000-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of the Ligand-Binding Domain of Oestrogen Receptor Beta in the Presence of a Partial Agonist and a Full Antagonist
Embo J., 18, 1999
1ERR
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BU of 1err by Molmil
HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE
Descriptor: ESTROGEN RECEPTOR, RALOXIFENE
Authors:Brzozowski, A.M, Pike, A.C.W.
Deposit date:1997-09-08
Release date:1998-09-16
Last modified:2013-05-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of agonism and antagonism in the oestrogen receptor.
Nature, 389, 1997
1ERE
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BU of 1ere by Molmil
HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-ESTRADIOL
Descriptor: ESTRADIOL, ESTROGEN RECEPTOR
Authors:Brzozowski, A.M, Pike, A.C.W.
Deposit date:1997-09-08
Release date:1998-09-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular basis of agonism and antagonism in the oestrogen receptor.
Nature, 389, 1997
1GWQ
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BU of 1gwq by Molmil
HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE CORE AND TIF2 NRBOX2 PEPTIDE
Descriptor: NUCLEAR RECEPTOR COACTIVATOR 2, OESTROGEN RECEPTOR, RALOXIFENE CORE
Authors:Pike, A.C.W, Brzozowski, A.M.
Deposit date:2002-03-22
Release date:2002-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Interaction of Transcriptional Intermediary Factor 2 Nuclear Receptor Box Peptides with the Coactivator Binding Site of Estrogen Receptor Alpha.
J.Biol.Chem., 277, 2002
1GWR
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BU of 1gwr by Molmil
HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-OESTRADIOL AND TIF2 NRBOX3 PEPTIDE
Descriptor: ESTRADIOL, OESTROGEN RECEPTOR, TRANSCRIPTION INTERMEDIARY FACTOR-2
Authors:Pike, A.C.W, Brzozowski, A.M.
Deposit date:2002-03-22
Release date:2002-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interaction of Transcriptional Intermediary Factor 2 Nuclear Receptor Box Peptides with the Coactivator Binding Site of Estrogen Receptor Alpha.
J.Biol.Chem., 277, 2002
1KV6
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BU of 1kv6 by Molmil
X-ray structure of the orphan nuclear receptor ERR3 ligand-binding domain in the constitutively active conformation
Descriptor: ESTROGEN-RELATED RECEPTOR GAMMA, steroid receptor coactivator 1
Authors:Greschik, H, Wurtz, J.-M, Sanglier, S, Bourguet, W, van Dorsselaer, A, Moras, D, Renaud, J.-P, Structural Proteomics in Europe (SPINE)
Deposit date:2002-01-25
Release date:2003-01-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Functional Evidence for Ligand-Independent Transcriptional Activation by the Estrogen-Related Receptor 3
Mol.Cell, 9, 2002
1L2J
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BU of 1l2j by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
Descriptor: (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL, ESTROGEN RECEPTOR BETA
Authors:Shiau, A.K, Barstad, D, Radek, J.T, Meyers, M.J, Nettles, K.W, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Agard, D.A, Greene, G.L.
Deposit date:2002-02-21
Release date:2002-05-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002

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