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2YPB
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BU of 2ypb by Molmil
Structure of the SCL:E47 complex bound to DNA
Descriptor: EBOX FORWARD, EBOX REVERSE, T-CELL ACUTE LYMPHOCYTIC LEUKEMIA PROTEIN 1, ...
Authors:El Omari, K, Hoosdally, S.J, Tuladhar, K, Karia, D, Ponsele, E, Platonova, O, Vyas, P, Patient, R, Porcher, C, Mancini, E.J.
Deposit date:2012-10-30
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural Basis for Lmo2-Driven Recruitment of the Scl:E47bHLH Heterodimer to Hematopoietic-Specific Transcriptional Targets.
Cell Rep., 4, 2013
2YPA
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BU of 2ypa by Molmil
Structure of the SCL:E47:LMO2:LDB1 complex bound to DNA
Descriptor: EBOX FORWARD, EBOX REVERSE, LIM DOMAIN-BINDING PROTEIN 1, ...
Authors:El Omari, K, Hoosdally, S.J, Tuladhar, K, Karia, D, Ponsele, E, Platonova, O, Vyas, P, Patient, R, Porcher, C, Mancini, E.J.
Deposit date:2012-10-30
Release date:2013-07-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Lmo2-Driven Recruitment of the Scl:E47bHLH Heterodimer to Hematopoietic-Specific Transcriptional Targets.
Cell Rep., 4, 2013
4HEE
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BU of 4hee by Molmil
Crystal structure of PPARgamma in complex with compound 13
Descriptor: 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Han, S.
Deposit date:2012-10-03
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-gamma
Bioorg.Med.Chem.Lett., 23, 2013
4H10
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BU of 4h10 by Molmil
Intermolecular recognition revealed by the complex structure of human CLOCK-BMAL1 basic Helix-Loop-Helix domains with E-box DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator-like protein 1, Circadian locomoter output cycles protein kaput, E-box DNA antisense strand, ...
Authors:Wang, Z, Su, X.-D.
Deposit date:2012-09-10
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Intermolecular recognition revealed by the complex structure of human CLOCK-BMAL1 basic helix-loop-helix domains with E-box DNA.
Cell Res., 23, 2013
4GS9
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BU of 4gs9 by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with an inactive benzoxadiazole antagonist
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, ...
Authors:Scheuermann, T.H, Gardner, K.H.
Deposit date:2012-08-27
Release date:2013-04-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Development of Inhibitors of the PAS-B Domain of the HIF-2 alpha Transcription Factor
J.Med.Chem., 56, 2013
4GHI
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BU of 4ghi by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Authors:Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H.
Deposit date:2012-08-07
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric inhibition of hypoxia inducible factor-2 with small molecules.
Nat.Chem.Biol., 9, 2013
4G2H
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BU of 4g2h by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-12
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G20
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BU of 4g20 by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G21
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BU of 4g21 by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G1Y
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BU of 4g1y by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G1Z
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BU of 4g1z by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G1D
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BU of 4g1d by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-10
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4AYA
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BU of 4aya by Molmil
Crystal structure of ID2 HLH homodimer at 2.1A resolution
Descriptor: ACETATE ION, DNA-BINDING PROTEIN INHIBITOR ID-2, POTASSIUM ION
Authors:Wong, M.V, Jiang, S, Palasingam, P, Kolatkar, P.R.
Deposit date:2012-06-19
Release date:2012-11-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:A Divalent Ion is Crucial in the Structure and Dominant-Negative Function of Id Proteins, a Class of Helix-Loop-Helix Transcription Regulators.
Plos One, 7, 2012
4FHH
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BU of 4fhh by Molmil
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
4FGY
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BU of 4fgy by Molmil
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
4F9M
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BU of 4f9m by Molmil
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
4F3L
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BU of 4f3l by Molmil
Crystal Structure of the Heterodimeric CLOCK:BMAL1 Transcriptional Activator Complex
Descriptor: BMAL1b, Circadian locomoter output cycles protein kaput
Authors:Huang, N, Chelliah, Y, Shan, Y, Taylor, C, Yoo, S, Partch, C, Green, C.B, Zhang, H, Takahashi, J.
Deposit date:2012-05-09
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Crystal structure of the heterodimeric CLOCK:BMAL1 transcriptional activator complex.
Science, 337, 2012
4EQ1
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BU of 4eq1 by Molmil
Crystal Structure of the ARNT PAS-B homodimer
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Aryl hydrocarbon receptor nuclear translocator
Authors:Gardner, K.H, Key, J.M.
Deposit date:2012-04-17
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Regulating the ARNT/TACC3 Axis: Multiple Approaches to Manipulating Protein/Protein Interactions with Small Molecules.
Acs Chem.Biol., 8, 2013
4E2J
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BU of 4e2j by Molmil
X-Ray Crystal Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with mometasone furoate and TIF-2 coactivator fragment
Descriptor: Ancestral Glucocorticoid Receptor 2, FORMIC ACID, GLYCEROL, ...
Authors:Kohn, J.A, Deshpande, K, Ortlund, E.A.
Deposit date:2012-03-08
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Deciphering Modern Glucocorticoid Cross-pharmacology Using Ancestral Corticosteroid Receptors.
J.Biol.Chem., 287, 2012
4AJY
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BU of 4ajy by Molmil
von Hippel-Lindau protein-ElonginB-ElonginC complex, bound to Hif1- alpha peptide
Descriptor: GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ...
Authors:Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A.
Deposit date:2012-02-21
Release date:2012-11-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
4DQM
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BU of 4dqm by Molmil
Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity
Descriptor: (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
Authors:Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y.
Deposit date:2012-02-16
Release date:2012-10-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
4DOS
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BU of 4dos by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2
Descriptor: DIUNDECYL PHOSPHATIDYL CHOLINE, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2, ...
Authors:Musille, P.M, Ortlund, E.A.
Deposit date:2012-02-10
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation.
Nat.Struct.Mol.Biol., 19, 2012
4DM8
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BU of 4dm8 by Molmil
Crystal structure of RARb LBD in complex with 9cis retinoic acid
Descriptor: Nuclear receptor coactivator 1, RETINOIC ACID, Retinoic acid receptor beta
Authors:Osz, J, Br livet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D.
Deposit date:2012-02-07
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DM6
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BU of 4dm6 by Molmil
Crystal structure of RARb LBD homodimer in complex with TTNPB
Descriptor: 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Nuclear receptor coactivator 1, Retinoic acid receptor beta
Authors:Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D.
Deposit date:2012-02-07
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DK7
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BU of 4dk7 by Molmil
Crystal structure of LXR ligand binding domain in complex with full agonist 1
Descriptor: ACETATE ION, CALCIUM ION, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide, ...
Authors:Piper, D.E, Xu, H.
Deposit date:2012-02-03
Release date:2012-03-21
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of a new binding mode for a series of liver X receptor agonists.
Bioorg.Med.Chem.Lett., 22, 2012

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