5D75
 
 | | Crystal structure of Human FKBD25 in complex with FK506 | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), Peptidyl-prolyl cis-trans isomerase FKBP3 | | Authors: | Rajan, S, Prakash, A, Yoon, H.S. | | Deposit date: | 2015-08-13 | | Release date: | 2016-04-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of the FK506 binding domain of human FKBP25 in complex with FK506.
Protein Sci., 25, 2016
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4MGV
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1ZKY
 | | Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-3M and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide | | Descriptor: | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2 | | 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: | 2023-08-23 | | 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
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2B1V
 | | Human estrogen receptor alpha ligand-binding domain in complex with OBCP-1M and a glucocorticoid receptor interacting protein 1 NR box II peptide | | Descriptor: | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, 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: | 2006-05-09 | | Last modified: | 2023-08-23 | | 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
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2B1Z
 | | Human estrogen receptor alpha ligand-binding domain in complex with 17methyl-17alpha-dihydroequilenin and a glucoc interacting protein 1 NR box II peptide | | Descriptor: | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN, 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: | 2023-08-23 | | 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
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1RXQ
 | | YfiT from Bacillus subtilis is a probable metal-dependent hydrolase with an unusual four-helix bundle topology | | Descriptor: | ALANINE, GLUTAMIC ACID, GLYCINE, ... | | 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
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3HM1
 | | 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: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2 | | 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: | 2023-09-06 | | 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
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3L03
 | | 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: | (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol, CHLORIDE ION, Estrogen receptor, ... | | 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: | 2023-09-06 | | 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
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3HLV
 | | 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: | (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2 | | 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: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human alphaER-LBD in complex with GRIP peptide and 16alpha-hydroxyestrone
To be Published
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3Q95
 | | Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol | | Descriptor: | CHLORIDE ION, ESTRIOL, Estrogen receptor, ... | | Authors: | Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L. | | Deposit date: | 2011-01-07 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | 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
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1TO9
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1U8X
 | | CRYSTAL STRUCTURE OF GLVA FROM BACILLUS SUBTILIS, A METAL-REQUIRING, NAD-DEPENDENT 6-PHOSPHO-ALPHA-GLUCOSIDASE | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, MANGANESE (II) ION, Maltose-6'-phosphate glucosidase, ... | | 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: | 2024-04-03 | | 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
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2FAI
 | | Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-2M and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide | | Descriptor: | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2 | | 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: | 2023-08-30 | | 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
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2B23
 | | 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: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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2OCF
 | | Human estrogen receptor alpha ligand-binding domain in complex with estradiol and the E2#23 FN3 monobody | | Descriptor: | ESTRADIOL, Estrogen receptor, Fibronectin | | Authors: | Rajan, S.S, Kuruvilla, S.M, Sharma, S.K, Kim, Y, Huang, J, Koide, A, Koide, S, Joachimiak, A, Greene, G.L. | | Deposit date: | 2006-12-20 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Probing protein conformational changes in living cells by using designer binding proteins: application to the estrogen receptor.
Proc.Natl.Acad.Sci.USA, 99, 2002
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2G5O
 | | Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide | | Descriptor: | (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | | Deposit date: | 2006-02-23 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide
To be Published
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2G44
 | | 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: | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2 | | 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: | 2023-08-30 | | 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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2H7H
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5T1Z
 | | 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
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4EC2
 | | Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae, complexed with ferrous | | Descriptor: | FE (II) ION, Frataxin homolog, mitochondrial | | Authors: | Soderberg, C.A.G, Rajan, S, Gakh, O, Isaya, G, Al-Karadaghi, S. | | Deposit date: | 2012-03-26 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | The molecular basis of iron-induced oligomerization of frataxin and the role of the ferroxidation reaction in oligomerization.
J.Biol.Chem., 288, 2013
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1LJX
 | | 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: | 2023-08-16 | | 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
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1RKT
 | | Crystal structure of yfiR, a putative transcriptional regulator from Bacillus subtilis | | Descriptor: | UNKNOWN ATOM OR ION, protein yfiR | | 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
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3IR0
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1XA2
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1XAM
 | | Cobalt hexammine induced tautameric shift in Z-DNA: structure of d(CGCGCA).d(TGCGCG) in two crystal forms. | | Descriptor: | CGCGCA, COBALT HEXAMMINE(III), TG, ... | | Authors: | Thiyagarajan, S, Rajan, S.S, Gautham, N. | | Deposit date: | 2004-08-26 | | Release date: | 2004-11-16 | | Last modified: | 2024-04-03 | | 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
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