4IVW
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![BU of 4ivw by Molmil](/molmil-images/mine/4ivw) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b | Descriptor: | 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IW8
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![BU of 4iw8 by Molmil](/molmil-images/mine/4iw8) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a | Descriptor: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.0375 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IWF
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![BU of 4iwf by Molmil](/molmil-images/mine/4iwf) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Oxime-derivative | Descriptor: | 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IUI
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![BU of 4iui by Molmil](/molmil-images/mine/4iui) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a | Descriptor: | 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-21 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4J24
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![BU of 4j24 by Molmil](/molmil-images/mine/4j24) | Estrogen Receptor in complex with proline-flanked LXXLL peptides | Descriptor: | 19-mer peptide, ESTRADIOL, Estrogen receptor beta | Authors: | Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L. | Deposit date: | 2013-02-04 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction J.Am.Chem.Soc., 135, 2013
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4KZM
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![BU of 4kzm by Molmil](/molmil-images/mine/4kzm) | Crystal Structure of TR3 LBD S553A Mutant | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | Deposit date: | 2013-05-30 | Release date: | 2013-12-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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4KZJ
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![BU of 4kzj by Molmil](/molmil-images/mine/4kzj) | Crystal Structure of TR3 LBD L449W Mutant | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | Deposit date: | 2013-05-30 | Release date: | 2013-12-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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4L98
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![BU of 4l98 by Molmil](/molmil-images/mine/4l98) | Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175 | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C. | Deposit date: | 2013-06-18 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy. Acta Crystallogr.,Sect.D, 70, 2014
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5WR1
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![BU of 5wr1 by Molmil](/molmil-images/mine/5wr1) | Covalent bond formation of bifunctional ligand with hPPARg-LBD | Descriptor: | 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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6HL1
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![BU of 6hl1 by Molmil](/molmil-images/mine/6hl1) | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA | Descriptor: | Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ... | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | Deposit date: | 2018-09-10 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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5X8U
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![BU of 5x8u by Molmil](/molmil-images/mine/5x8u) | Crystal Structure of the wild Human ROR gamma Ligand Binding Domain. | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | Deposit date: | 2017-03-03 | Release date: | 2017-06-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
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5X8Q
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![BU of 5x8q by Molmil](/molmil-images/mine/5x8q) | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. | Descriptor: | (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | Deposit date: | 2017-03-03 | Release date: | 2017-06-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
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6HN6
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![BU of 6hn6 by Molmil](/molmil-images/mine/6hn6) | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor RXR-ALPHA | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Retinoic acid receptor RXR-alpha | Authors: | Eberhardt, J, McEwen, A.G, Bourguet, W, Moras, D, Dejaegere, A. | Deposit date: | 2018-09-14 | Release date: | 2019-02-20 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor retinoic X receptor alpha. Acta Crystallogr F Struct Biol Commun, 75, 2019
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7VWF
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7VWG
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![BU of 7vwg by Molmil](/molmil-images/mine/7vwg) | |
5X8W
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![BU of 5x8w by Molmil](/molmil-images/mine/5x8w) | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain. | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | Deposit date: | 2017-03-03 | Release date: | 2017-06-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
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6HTY
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![BU of 6hty by Molmil](/molmil-images/mine/6hty) | PXR in complex with P2X4 inhibitor compound 25 | Descriptor: | (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S. | Deposit date: | 2018-10-05 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile. J.Med.Chem., 62, 2019
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7VWH
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7VWE
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5X8X
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![BU of 5x8x by Molmil](/molmil-images/mine/5x8x) | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A. | Descriptor: | (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | Deposit date: | 2017-03-03 | Release date: | 2017-06-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
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7VQP
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![BU of 7vqp by Molmil](/molmil-images/mine/7vqp) | Vitamin D receptor complexed with a lithocholic acid derivative | Descriptor: | 3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Kato, K, Numoto, N, Kagechika, H, Tanatani, A, Ito, N. | Deposit date: | 2021-10-20 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Lithocholic Acid Amides as Potent Vitamin D Receptor Agonists. Biomolecules, 12, 2022
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5XUQ
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![BU of 5xuq by Molmil](/molmil-images/mine/5xuq) | Crystal structure of VDR-LBD complexed with an antagonist, 2-methylidene-19,26,27-trinor-22-(S)-butyl-1-hydroxy-25-oxo-25-(1H-pyrrol-2-yl)- vitamin D3 | Descriptor: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-24 | Release date: | 2018-06-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Potent Vitamin D Receptor Antagonist To Be Published
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6IVX
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![BU of 6ivx by Molmil](/molmil-images/mine/6ivx) | Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. | Descriptor: | (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | Authors: | Noguchi, M, Nomura, A, Doi, S, Adachi, T. | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. J. Med. Chem., 62, 2019
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7VUE
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![BU of 7vue by Molmil](/molmil-images/mine/7vue) | Structural insight of the molecular mechanism of cilofexor bound to FXR | Descriptor: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | Authors: | Jiang, L, Chen, Y.C. | Deposit date: | 2021-11-02 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor. Biochem.Biophys.Res.Commun., 595, 2022
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5XMX
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![BU of 5xmx by Molmil](/molmil-images/mine/5xmx) | Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD | Descriptor: | (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N. | Deposit date: | 2017-05-16 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel highly selective peroxisome proliferator-activated receptor delta (PPAR delta) modulators with pharmacokinetic properties suitable for once-daily oral dosing. Bioorg. Med. Chem. Lett., 27, 2017
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