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7TT8
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BU of 7tt8 by Molmil
Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2022-01-31
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
7QPI
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BU of 7qpi by Molmil
Structure of lamprey VDR in complex with 1,25D3
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, MAGNESIUM ION, Nuclear receptor coactivator 1, ...
Authors:Rochel, N.
Deposit date:2022-01-04
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain.
J.Med.Chem., 65, 2022
7QGS
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BU of 7qgs by Molmil
Crystal structure of p300 CH1 domain in complex with CITIF (a CITED2-HIF-1alpha hybrid)
Descriptor: Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone acetyltransferase, ZINC ION
Authors:Hegedus, Z, Wilson, A.J, Edwards, T.A.
Deposit date:2021-12-10
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding p300-transcription factor interactions using sequence variation and hybridization.
Rsc Chem Biol, 3, 2022
7W80
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BU of 7w80 by Molmil
Crystal Structure of the Heterodimeric HIF-2 in Complex with Antagonist Belzutifan
Descriptor: 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Ren, X, Diao, X, Zhuang, J, Wu, D.
Deposit date:2021-12-07
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.754 Å)
Cite:Structural basis for the allosteric inhibition of hypoxia-inducible factor (HIF)-2 by belzutifan.
Mol.Pharmacol., 2022
7T2X
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BU of 7t2x by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate
Authors:Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Wilson, T.M, Fanning, S.W.
Deposit date:2021-12-06
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core.
Acs Med.Chem.Lett., 13, 2022
7W3Q
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BU of 7w3q by Molmil
Crystal structure of RORgamma in complex with natural inverse agonist
Descriptor: (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol, Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2
Authors:Tian, S.Y, Li, Y.
Deposit date:2021-11-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of RORgamma in complex with natural inverse agonist
To Be Published
7W3P
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Crystal structure of RORgamma in complex with natural inverse agonist
Descriptor: (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol, Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2
Authors:Tian, S.Y, Li, Y.
Deposit date:2021-11-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of RORgamma in complex with natural inverse agonist
To Be Published
7SSA
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BU of 7ssa by Molmil
Cryo-EM structure of pioneer factor Cbf1 bound to the nucleosome
Descriptor: Centromere-binding protein 1, DNA (137-MER), Histone H2A.1, ...
Authors:Eek, P, Tan, S.
Deposit date:2021-11-10
Release date:2023-04-05
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Basic helix-loop-helix pioneer factors interact with the histone octamer to invade nucleosomes and generate nucleosome-depleted regions.
Mol.Cell, 83, 2023
7Q5X
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BU of 7q5x by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542)
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J.
Deposit date:2021-11-04
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
7Q5V
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BU of 7q5v by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH N-OXALYLGLYCINE (NOG) AND HIF-2 ALPHA CODD (523-542)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ...
Authors:Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J.
Deposit date:2021-11-04
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
7VNI
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BU of 7vni by Molmil
AHR-ARNT PAS-B heterodimer
Descriptor: Ahr homolog spineless, Aryl hydrocarbon receptor nuclear translocator, SULFATE ION
Authors:Dai, S.Y.
Deposit date:2021-10-11
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VNH
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BU of 7vnh by Molmil
drosophlia AHR PAS-B domain bound by the antagonist alpha-naphthoflavone
Descriptor: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Ahr homolog spineless
Authors:Dai, S.Y.
Deposit date:2021-10-11
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VNA
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BU of 7vna by Molmil
drosophlia AHR PAS-B domain
Descriptor: Ahr homolog spineless
Authors:Dai, S.Y.
Deposit date:2021-10-10
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7V7L
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BU of 7v7l by Molmil
Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha
Authors:Diao, X, Ren, X, Li, F.W, Sun, X, Wu, D.
Deposit date:2021-08-21
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha.
Nat Commun, 13, 2022
7PDT
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BU of 7pdt by Molmil
Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment
Descriptor: 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:le Maire, A, Bourguet, W, Guee, L.
Deposit date:2021-08-07
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
7PDQ
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BU of 7pdq by Molmil
Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment
Descriptor: 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:le Maire, A, Bourguet, W, Guee, L.
Deposit date:2021-08-06
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
7FDO
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BU of 7fdo by Molmil
Crystal structure of transcription factor CPC in complex with EGL3
Descriptor: CHLORIDE ION, SULFATE ION, Transcription factor CPC, ...
Authors:Wang, B, Luo, Q.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021
7FDN
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BU of 7fdn by Molmil
Crystal structure of transcription factor WER in complex with EGL3
Descriptor: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
Authors:Luo, Q, Wang, B.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021
7FDM
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BU of 7fdm by Molmil
Crystal structure of transcription factor MYB29 in complex with MYC3
Descriptor: Transcription factor MYB29, Transcription factor MYC3
Authors:Luo, Q, Wang, B.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021
7FDL
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BU of 7fdl by Molmil
Crystal structure of transcription factor WER in complex with EGL3
Descriptor: Transcription factor EGL1, Transcription factor WER
Authors:Luo, Q, Wang, B.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.897 Å)
Cite:Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021
7RCU
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BU of 7rcu by Molmil
Synthetic Max homodimer mimic in complex with DNA
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2-(2,5-dioxopyrrolidin-1-yl)acetamide, ACETAMIDE, ...
Authors:Speltz, T, Qiao, Z, Shangguan, S, Fanning, S, Greene, J, Moellering, R.
Deposit date:2021-07-08
Release date:2022-09-14
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Targeting MYC with modular synthetic transcriptional repressors derived from bHLH DNA-binding domains.
Nat.Biotechnol., 41, 2023
7OXZ
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BU of 7oxz by Molmil
VDR complex with a side-chain hydroxylated derivative of lithocholic acid
Descriptor: (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N.
Deposit date:2021-06-23
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).
Bioorg.Chem., 115, 2021
7OY4
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BU of 7oy4 by Molmil
VDR complex of a side-chain hydroxylated derivatives of lithocholic acid
Descriptor: (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N.
Deposit date:2021-06-23
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).
Bioorg.Chem., 115, 2021
7F2F
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BU of 7f2f by Molmil
The complex of DNA with the C-terminal domain of TYE7 from Saccharomyces cerevisiae.
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*CP*AP*TP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*AP*CP*AP*CP*AP*TP*GP*AP*TP*CP*T)-3'), Serine-rich protein TYE7
Authors:Gui, W.
Deposit date:2021-06-10
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the complex of DNA with the C-terminal domain of TYE7 from Saccharomyces cerevisiae.
Acta Crystallogr.,Sect.F, 77, 2021
7F09
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BU of 7f09 by Molmil
Crystal structure of the HLH-Lz domain of human TFE3
Descriptor: 1,2-ETHANEDIOL, Transcription factor E3, ZINC ION
Authors:Yang, G, Li, P, Liu, Z, Wu, S, Zhuang, C, Qiao, H, Fang, P, Wang, J.
Deposit date:2021-06-03
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the dimerization mechanism of human transcription factor E3.
Biochem.Biophys.Res.Commun., 569, 2021

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