Author results

1RXQ
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YFIT FROM BACILLUS SUBTILIS IS A PROBABLE METAL-DEPENDENT HYDROLASE WITH AN UNUSUAL FOUR-HELIX BUNDLE TOPOLOGY
Descriptor:yfiT, NICKEL (II) ION, GLUTAMIC ACID, ...
Authors:Rajan, S.S., Yang, X., Anderson, W.F., Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-12-18
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:YfiT from Bacillus subtilis Is a Probable Metal-Dependent Hydrolase with an Unusual Four-Helix Bundle Topology
Biochemistry, 43, 2004
1TO9
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CRYSTAL STRUCTURE OF THI-4 PROTEIN FROM BACILLUS SUBTILIS
Descriptor:THI-4 protein, 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE
Authors:Rajan, S.S., Shuvalova, L., Yang, X., Anderson, W.F., Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-06-14
Release date:2004-08-10
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of THI-4 protein from Bacillus subtilis
To be Published
1U8X
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CRYSTAL STRUCTURE OF GLVA FROM BACILLUS SUBTILIS, A METAL-REQUIRING, NAD-DEPENDENT 6-PHOSPHO-ALPHA-GLUCOSIDASE
Descriptor:Maltose-6'-phosphate glucosidase, ALPHA-D-GLUCOSE-6-PHOSPHATE, MANGANESE (II) ION, ...
Authors:Rajan, S.S., Yang, X., Collart, F., Anderson, W.F., Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-08-09
Release date:2004-08-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Novel Catalytic Mechanism of Glycoside Hydrolysis Based on the Structure of an NAD(+)/Mn(2+)-Dependent Phospho-alpha-Glucosidase from Bacillus subtilis.
STRUCTURE, 12, 2004
3HLV
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CRYSTAL STRUCTURE OF HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE AND 16-ALPHA-HYDROXY-ESTRONE ((8S,9R,13S,14R,16R)-3,16-DIHYDROXY-13-METHYL-7,8,9,11,12,14,15, 16-OCTAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-17-ONE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
Authors:Rajan, S.S., Kim, Y., Vanek, K., Joachimiak, A., Greene, G.L.
Deposit date:2009-05-28
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human alphaER-LBD in complex with GRIP peptide and 16alpha-hydroxyestrone
To be Published
3HM1
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CRYSTAL STRUCTURE OF HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE AND ESTRONE ((8R,9S,13S,14S)-3-HYDROXY-13-METHYL-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-17-ONE)
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one
Authors:Rajan, S.S., Kim, Y., Vanek, K., Liwanag, M., Joachimiak, A., Greene, G.L.
Deposit date:2009-05-28
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one)
To be Published
3L03
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CRYSTAL STRUCTURE OF HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE AND ESTETROL (ESTRA-1,3,5(10)-TRIENE-3,15 ALPHA,16ALPHA,17BETA-TETROL)
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, CHLORIDE ION, ...
Authors:Rajan, S.S., Kim, Y., Vanek, K., Joachimiak, A., Greene, G.L.
Deposit date:2009-12-09
Release date:2010-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol
To be Published
3Q95
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CRYSTAL STRUCTURE OF HUMAN ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH GRIP PEPTIDE AND ESTRIOL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, ESTRIOL, ...
Authors:Rajan, S.S., Kim, Y., Vanek, K., Joachimiak, A., Greene, G.L.
Deposit date:2011-01-07
Release date:2012-01-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and Estriol
TO BE PUBLISHED
1RKT
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CRYSTAL STRUCTURE OF YFIR, A PUTATIVE TRANSCRIPTIONAL REGULATOR FROM BACILLUS SUBTILIS
Descriptor:protein yfiR, UNKNOWN ATOM OR ION
Authors:Anderson, W.F., Rajan, S.S., Yang, X., Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-11-23
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of YfiR, an unusual TetR/CamR-type putative transcriptional regulator from Bacillus subtilis.
Proteins, 65, 2006
1ZKY
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH OBCP-3M AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Hahm, J.B., Nettles, K.W., Greene, G.L.
Deposit date:2005-05-04
Release date:2006-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
2B1V
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH OBCP-1M AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2005-09-16
Release date:2006-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
2B1Z
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17METHYL-17ALPHA-DIHYDROEQUILENIN AND A GLUCOC INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 17-METHYL-17-ALPHA-DIHYDROEQUILENIN
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2005-09-16
Release date:2006-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Molecular characterization of a B-ring unsaturated estrogen: implications for conjugated equine estrogen components of premarin.
Steroids, 73, 2008
2FAI
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH OBCP-2M AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2005-12-07
Release date:2006-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
1XA2
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COBALT HEXAMMINE INDUCED TAUTOMERIC SHIFT IN Z-DNA: THE STRUCTURE OF D(CGCGCA).D(TGCGCG) IN TWO CRYSTAL FORMS
Descriptor:5'-D(*CP*GP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*CP*G)-3', COBALT HEXAMMINE(III)
Authors:Thiyagarajan, S., Rajan, S.S., Gautham, N.
Deposit date:2004-08-25
Release date:2004-11-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Cobalt hexammine induced tautomeric shift in Z-DNA: the structure of d(CGCGCA)*d(TGCGCG) in two crystal forms.
Nucleic Acids Res., 32, 2004
1XAM
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COBALT HEXAMMINE INDUCED TAUTAMERIC SHIFT IN Z-DNA: STRUCTURE OF D(CGCGCA).D(TGCGCG) IN TWO CRYSTAL FORMS.
Descriptor:CGCGCA, TGCGCG, TG, ...
Authors:Thiyagarajan, S., Rajan, S.S., Gautham, N.
Deposit date:2004-08-26
Release date:2004-11-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Cobalt hexammine induced tautomeric shift in Z-DNA: the structure of d(CGCGCA)*d(TGCGCG) in two crystal forms.
Nucleic Acids Res., 32, 2004
1LJX
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THE STRUCTURE OF D(TPGPCPGPCPA)2 AT 293K: COMPARISON OF THE EFFECT OF SEQUENCE AND TEMPERATURE
Descriptor:5'-D(*TP*GP*CP*GP*CP*A)-3', MAGNESIUM ION
Authors:Thiyagarajan, S., Satheesh Kumar, P., Rajan, S.S., Gautham, N.
Deposit date:2002-04-23
Release date:2002-05-03
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure of d(TGCGCA)2 at 293 K: comparison of the effects of sequence and temperature.
Acta Crystallogr.,Sect.D, 58, 2002
2QIU
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STRUCTURE OF HUMAN ARG-INSULIN
Descriptor:Insulin, ZINC ION
Authors:Sreekanth, R., Pattabhi, V., Rajan, S.S.
Deposit date:2007-07-05
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural interpretation of reduced insulin activity as seen in the crystal structure of human Arg-insulin
Biochimie, 90, 2008
2R34
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CRYSTAL STRUCTURE OF MN HUMAN ARG-INSULIN
Descriptor:Insulin, MANGANESE (II) ION, CHLORIDE ION
Authors:Sreekanth, R., Pattabhi, V., Rajan, S.S.
Deposit date:2007-08-29
Release date:2008-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Metal induced structural changes observed in hexameric insulin
Int.J.Biol.Macromol., 44, 2009
2R35
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CRYSTAL STRUCTURE OF RB HUMAN ARG-INSULIN
Descriptor:Insulin, SODIUM ION, RUBIDIUM ION
Authors:Sreekanth, R., Pattabhi, V., Rajan, S.S.
Deposit date:2007-08-29
Release date:2008-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Metal induced structural changes observed in hexameric insulin
Int.J.Biol.Macromol., 44, 2009
2R36
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CRYSTAL STRUCTURE OF NI HUMAN ARG-INSULIN
Descriptor:Insulin, NICKEL (II) ION, SODIUM ION, ...
Authors:Sreekanth, R., Pattabhi, V., Rajan, S.S.
Deposit date:2007-08-29
Release date:2008-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal induced structural changes observed in hexameric insulin
Int.J.Biol.Macromol., 44, 2009
3ILG
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CRYSTAL STRUCTURE OF HUMNAN INSULIN SR+2 COMPLEX
Descriptor:Insulin A chain, Insulin B chain, STRONTIUM ION
Authors:Raghavendra, N., Pattabhi, V., Rajan, S.S.
Deposit date:2009-08-07
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metal induced conformational changes in human insulin: Crystal structures of Sr+2, Ni+2 and Cu+2 complexes of human insulin
To be Published
3INC
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CRYSTAL STRUCTURE OF HUMAN INSULIN WITH NI+2 COMPLEX
Descriptor:Insulin A chain, Insulin B chain, NICKEL (II) ION
Authors:Raghavendra, N., Pattabhi, V., Rajan, S.S.
Deposit date:2009-08-12
Release date:2010-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Metal induced conformational changes in human insulin: Crystal structures of Sr+2, Ni+2 and Cu+2 complexes of human insulin
To be Published
3IR0
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CRYSTAL STRUCTURE OF HUMAN INSULIN COMPLEXED WITH CU+2 METAL ION
Descriptor:Insulin A chain, Insulin B chain, COPPER (II) ION
Authors:Raghavendra, N., Pattabhi, V., Rajan, S.S.
Deposit date:2009-08-21
Release date:2010-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metal induced structural changes observed in Human insulin
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
2B23
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN AND A GLUCOCORTICOID RECEPTOR-INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2005-09-16
Release date:2006-09-19
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2G44
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH OBCP-1M-G AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2006-02-21
Release date:2007-01-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and characterization of novel estrogen receptor agonist ligands and development of biochips for nuclear receptor drug discovery
Thesis, 2006
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