4FGY
 
 | | Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity | | Descriptor: | (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | Authors: | Wang, R, Li, Y. | | Deposit date: | 2012-06-05 | | Release date: | 2013-03-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes.
Diabetologia, 56, 2013
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1OSH
 | | A Chemical, Genetic, and Structural Analysis of the nuclear bile acid receptor FXR | | Descriptor: | Bile acid receptor, METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE | | Authors: | Downes, M, Verdecia, M.A, Roecker, A.J, Hughes, R, Hogenesch, J.B, Kast-Woelbern, H.R, Bowman, M.E, Ferrer, J.-L, Anisfeld, A.M, Edwards, P.A, Rosenfeld, J.M, Alvarez, J.G.A, Noel, J.P, Nicolaou, K.C, Evans, R.M. | | Deposit date: | 2003-03-19 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A chemical, genetic, and structural analysis of the nuclear bile acid receptor FXR
Mol.Cell, 11, 2003
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4FIP
 | | Structure of the SAGA Ubp8(S144N)/Sgf11(1-72, Delta-ZnF)/Sus1/Sgf73 DUB module | | Descriptor: | Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ... | | Authors: | Samara, N.L, Ringel, A.E, Wolberger, C. | | Deposit date: | 2012-06-10 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.686 Å) | | Cite: | A Role for Intersubunit Interactions in Maintaining SAGA Deubiquitinating Module Structure and Activity.
Structure, 20, 2012
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5HLN
 | | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ... | | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-01-15 | | Release date: | 2016-05-25 | | Last modified: | 2016-07-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
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1OVL
 | | Crystal Structure of Nurr1 LBD | | Descriptor: | BROMIDE ION, IODIDE ION, Orphan nuclear receptor NURR1 (MSE 414, ... | | Authors: | Wang, Z, Liu, J, Walker, N. | | Deposit date: | 2003-03-26 | | Release date: | 2003-06-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Function of Nurr1 identifies a Class of Ligand-Independent Nuclear Receptors
Nature, 423, 2003
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3L0E
 | | X-ray crystal structure of a Potent Liver X Receptor Modulator | | Descriptor: | N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta | | Authors: | Gampe Jr, R.T. | | Deposit date: | 2009-12-09 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of tertiary sulfonamides as potent liver X receptor antagonists.
J.Med.Chem., 53, 2010
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2O4J
 | | Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20Z and the NR2 Box of DRIP 205 | | Descriptor: | (1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor | | Authors: | Vanhooke, J.L, Benning, M.M, DeLuca, H.F. | | Deposit date: | 2006-12-04 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations.
Arch.Biochem.Biophys., 460, 2007
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2O4R
 | | Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20E and the NR2 Box of DRIP 205 | | Descriptor: | (1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor | | Authors: | Vanhooke, J.L, Benning, M.M, DeLuca, H.F. | | Deposit date: | 2006-12-04 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations.
Arch.Biochem.Biophys., 460, 2007
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3WGP
 | | Crystal Structure Analysis of Vitamin D receptor | | Descriptor: | (1R,2R,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol, Vitamin D3 receptor | | Authors: | Itoh, S, Iijima, S. | | Deposit date: | 2013-08-07 | | Release date: | 2014-08-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure Analysis of Vitamin D receptor
to be published
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3L82
 | | X-ray Crystal structure of TRF1 and Fbx4 complex | | Descriptor: | F-box only protein 4, Telomeric repeat-binding factor 1 | | Authors: | Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M. | | Deposit date: | 2009-12-29 | | Release date: | 2010-03-09 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Selective Ubiquitination of TRF1 by SCF(Fbx4)
Dev.Cell, 18, 2010
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3WT6
 | | A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: Active vitamin D analogues with 22R-alkyl group | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-04-08 | | Release date: | 2014-06-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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3WT7
 | | Crystal structure of VDR-LBD complexed with 22R-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1 ,25-dihydroxyvitamin D3 | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-04-08 | | Release date: | 2014-06-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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2NV7
 | | Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555 | | Descriptor: | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1 | | Authors: | Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-11-10 | | Release date: | 2007-08-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Bioorg.Med.Chem.Lett., 17, 2007
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2NVN
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2PHE
 | | Model for VP16 binding to PC4 | | Descriptor: | Alpha trans-inducing protein, TRANSCRIPTIONAL COACTIVATOR PC4 | | Authors: | Jonker, H.R.A, Wechselberger, R.W, Boelens, R, Folkers, G.E, Kaptein, R. | | Deposit date: | 2007-04-11 | | Release date: | 2007-04-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Properties of the Promiscuous VP16 Activation Domain
Biochemistry, 44, 2005
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2PMI
 | | Structure of the Pho85-Pho80 CDK-cyclin Complex of the Phosphate-responsive Signal Transduction Pathway with Bound ATP-gamma-S | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cyclin-dependent protein kinase PHO85, PHO85 cyclin PHO80, ... | | Authors: | Huang, K, Ferrin-O'Connell, I, Zhang, W, Leonard, G.A, O'Shea, E.K, Quiocho, F.A. | | Deposit date: | 2007-04-23 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the Pho85-Pho80 CDK-Cyclin Complex of the Phosphate-Responsive Signal Transduction Pathway
Mol.Cell, 28, 2007
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2YFC
 | | STRUCTURAL AND FUNCTIONAL INSIGHTS OF DR2231 PROTEIN, THE MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE FROM DEINOCOCCUS RADIODURANS, COMPLEXED WITH Mn and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Goncalves, A.M.D, De Sanctis, D, Mcsweeney, S.M. | | Deposit date: | 2011-04-05 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
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2BA3
 | | NMR Structure of NikA N-terminal Fragment | | Descriptor: | NikA | | Authors: | Yoshida, H, Furuya, N, Lin, Y.J, Guntert, P, Komano, T, Kainosho, M. | | Deposit date: | 2005-10-14 | | Release date: | 2006-10-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of NikA N-teminal Fragment
To be Published
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4FHH
 | | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | | Deposit date: | 2012-06-06 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition.
Chem.Biol., 19, 2012
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3X36
 | | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 7,8-cis-1a,25-Dihydroxy-19-norvitamin D3 | | Descriptor: | (1R,3R)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol, Vitamin D3 receptor | | Authors: | Takimoto-Kamimura, M, Kakuda, S. | | Deposit date: | 2015-01-16 | | Release date: | 2016-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Revisiting the 7,8-cis-vitamin D3 derivatives: synthesis, evaluating the biological activity, and study of the binding configuration
To be Published
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2YQE
 | | Solution structure of the ARID domain of JARID1D protein | | Descriptor: | Jumonji/ARID domain-containing protein 1D | | Authors: | Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-30 | | Release date: | 2008-04-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the ARID domain of JARID1D protein
To be Published
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2YEU
 | | Structural and functional insights of DR2231 protein, the MazG-like nucleoside triphosphate pyrophosphohydrolase from Deinococcus radiodurans, complex with Gd | | Descriptor: | DR2231, GADOLINIUM ATOM, GLYCEROL, ... | | Authors: | Goncalves, A.M.D, de Sanctis, D, McSweeney, S.M. | | Deposit date: | 2011-03-30 | | Release date: | 2011-07-06 | | Last modified: | 2011-09-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
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4F9M
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | | Descriptor: | (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, peptide from Nuclear receptor coactivator 1 | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2012-05-19 | | Release date: | 2012-08-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and biological evaluation of novel (-)-cercosporamide derivatives as potent selective PPARg modulators
Eur.J.Med.Chem., 54, 2012
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2BAL
 | | p38alpha MAP kinase bound to pyrazoloamine | | Descriptor: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | | Authors: | Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J. | | Deposit date: | 2005-10-14 | | Release date: | 2005-12-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
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2BAK
 | | p38alpha MAP kinase bound to MPAQ | | Descriptor: | Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | | Authors: | Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H. | | Deposit date: | 2005-10-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
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