Author results

1U76
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CRYSTAL STRUCTURE OF HPCNA BOUND TO RESIDUES 452-466 OF THE DNA POLYMERASE-DELTA-P66 SUBUNIT
Descriptor:Proliferating cell nuclear antigen, KANRQVSITGFFQRK peptide from DNA polymerase delta subunit 3
Authors:Bruning, J.B., Shamoo, Y.
Deposit date:2004-08-02
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Thermodynamic Analysis of Human PCNA with Peptides Derived from DNA Polymerase-delta p66 Subunit and Flap Endonuclease-1.
Structure, 12, 2004
1U7B
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CRYSTAL STRUCTURE OF HPCNA BOUND TO RESIDUES 331-350 OF THE FLAP ENDONUCLEASE-1 (FEN1)
Descriptor:Proliferating cell nuclear antigen, SRQGSTQGRLDDFFKVTGSL peptide of Flap endonuclease-1
Authors:Bruning, J.B., Shamoo, Y.
Deposit date:2004-08-03
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and Thermodynamic Analysis of Human PCNA with Peptides Derived from DNA Polymerase-delta p66 Subunit and Flap Endonuclease-1.
Structure, 12, 2004
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
2P15
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CRYSTAL STRUCTURE OF THE ER ALPHA LIGAND BINDING DOMAIN WITH THE AGONIST ORTHO-TRIFLUOROMETHYLPHENYLVINYL ESTRADIOL
Descriptor:Estrogen receptor, GRIP peptide, (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Authors:Bruning, J.B., Nettles, K.W., Greene, G.L., Kim, Y.
Deposit date:2007-03-02
Release date:2007-05-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural plasticity in the oestrogen receptor ligand-binding domain.
Embo Rep., 8, 2007
2Q59
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CRYSTAL STRUCTURE OF PPARGAMMA LBD BOUND TO FULL AGONIST MRL20
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-05-31
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5P
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CRYSTAL STRUCTURE OF PPARGAMMA BOUND TO PARTIAL AGONIST MRL24
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5S
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CRYSTAL STRUCTURE OF PPARGAMMA BOUND TO PARTIAL AGONIST NTZDPA
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q6R
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CRYSTAL STRUCTURE OF PPAR GAMMA COMPLEXED WITH PARTIAL AGONIST SF147
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q6S
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2.4 ANGSTROM CRYSTAL STRUCTURE OF PPAR GAMMA COMPLEXED TO BVT.13 WITHOUT CO-ACTIVATOR PEPTIDES
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q61
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CRYSTAL STRUCTURE OF PPARGAMMA LIGAND BINDING DOMAIN BOUND TO PARTIAL AGONIST SR145
Descriptor:Peroxisome Proliferator-Activated Receptor gamma, 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Authors:Bruning, J.B., Nettles, K.W.
Deposit date:2007-06-04
Release date:2007-10-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q6J
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED TO A B-N SUBSTITUTED LIGAND
Descriptor:Estrogen receptor, GRIP peptide, 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL
Authors:Zhou, H., Nettles, K.W., Bruning, J.B., Kim, Y., Joachimiak, A., Sharma, S., Carlson, K.E., Stossi, F., Katzenellenbogen, B.S., Greene, G.L., Katzenellenbogen, J.A.
Deposit date:2007-06-05
Release date:2007-06-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands
Chem.Biol., 14, 2007
2QA6
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA MUTANT 537S COMPLEXED WITH 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
Descriptor:Estrogen receptor, nuclear receptor coactivator 2, 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QA8
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN MUTANT 537S COMPLEXED WITH GENISTEIN
Descriptor:Estrogen receptor, nuclear receptor coactivator 2, GENISTEIN
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QAB
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN MUTANT 537S COMPLEXED WITH AN ETHYL INDAZOLE COMPOUND
Descriptor:Estrogen receptor, nuclear receptor coactivator 2, 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QGT
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED TO AN ETHER ESTRADIOL COMPOUND
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-29
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QGW
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED WITH A CHLORO-INDAZOLE COMPOUND
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-29
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QH6
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED WITH AN OXABICYCLIC DIARYLETHYLENE COMPOUND
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-29
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QR9
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED WITH AN OXABICYCLIC DERIVATIVE COMPOUND
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Authors:Nettles, K.W., Bruning, J.B.
Deposit date:2007-07-27
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QSE
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED WITH BURNED MEAT COMPOUND 4-OH-PHIP
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol
Authors:Nettles, K.W., Bruning, J.B.
Deposit date:2007-07-30
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QXM
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED TO BURNED MEAT COMPOUND PHIP
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
Authors:Nettles, K.W., Bruning, J.B., Gil, G., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-08-12
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QXS
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CRYSTAL STRUCTURE OF ANTAGONIZING MUTANT 536S OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED TO RALOXIFENE
Descriptor:Estrogen receptor, RALOXIFENE
Authors:Bruning, J.B., Gil, G., Nowak, J., Katzenellenbogen, J., Nettles, K.W.
Deposit date:2007-08-12
Release date:2008-09-02
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
2QZO
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED WITH WAY-169916
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
Authors:Bruning, J.B., Gil, G., Nowak, J., Katzenellenbogen, J., Nettles, K.W.
Deposit date:2007-08-16
Release date:2008-08-26
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
3D6D
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA LBD AND THE LT175(R-ENANTIOMER)
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R.
Deposit date:2008-05-19
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
3I54
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CRYSTAL STRUCTURE OF MTBCRP IN COMPLEX WITH CAMP
Descriptor:Transcriptional regulator, Crp/Fnr family, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
Authors:Reddy, M.C., Palaninathan, S.K., Bruning, J.B., Thurman, C., Smith, D., Sacchettini, J.C., TB Structural Genomics Consortium (TBSGC)
Deposit date:2009-07-03
Release date:2009-09-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Mechanism of the Allosteric Transitions of Mycobacterium tuberculosis cAMP Receptor Protein.
J.Biol.Chem., 284, 2009
3I59
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CRYSTAL STRUCTURE OF MTBCRP IN COMPLEX WITH N6-CAMP
Descriptor:Transcriptional regulator, Crp/Fnr family, (2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, ...
Authors:Reddy, M.C., Palaninathan, S.K., Bruning, J.B., Thurman, C., Smith, D., Sacchettini, J.C., TB Structural Genomics Consortium (TBSGC)
Deposit date:2009-07-03
Release date:2009-09-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Insights into the Mechanism of the Allosteric Transitions of Mycobacterium tuberculosis cAMP Receptor Protein.
J.Biol.Chem., 284, 2009
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