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7Y8F
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BU of 7y8f by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide
Descriptor: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
Authors:Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-23
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
5APK
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BU of 5apk by Molmil
Ligand complex of RORg LBD
Descriptor: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR ROR-GAMMA
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2015-09-16
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
5AK2
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Oxyphenylpropenoic acids as Oral Selective Estrogen Receptor Down- Regulators.
Descriptor: (E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR
Authors:Degorce, S, Bailey, A, Callis, R, De Savi, C, Ducray, R, Lamot, P, MacFaul, P, Maudet, M, Norman, R.A, Scott, J.S, Phillips, C.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Investigation of (E)-3-[4-(2-Oxo-3-Aryl-Chromen-4-Yl)Oxyphenyl]Acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators.
J.Med.Chem., 58, 2015
4YPQ
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Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma
Authors:Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L.
Deposit date:2015-03-13
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
4ZN7
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BU of 4zn7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol
Descriptor: DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-04
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.934 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
7WNV
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Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9
Descriptor: (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide, Estrogen receptor
Authors:Xiao, Y, Lv, Y.
Deposit date:2022-01-19
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystallography study and optimization of novel benzothiophene analogs as potent selective estrogen receptor covalent antagonists (SERCAs) with improved potency and safety profiles.
Bioorg.Chem., 141, 2023
7WQQ
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BU of 7wqq by Molmil
Retinoic acid receptor alpha mutant - N299H
Descriptor: 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid, Peptide from Nuclear receptor coactivator 1, Retinoic acid receptor alpha
Authors:Huang, X.X, Ng, L.M, Teh, B.T.
Deposit date:2022-01-25
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effects of breast fibroepithelial tumor associated retinoic acid receptor alpha ligand binding domain mutations on receptor function and retinoid signaling
To Be Published
4ZNV
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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative
Descriptor: 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZSH
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BU of 4zsh by Molmil
RXR LBD in complex with 9-cis-13,14-dihydroretinoic acid
Descriptor: (5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid, NCoA2 peptide, Retinoic acid receptor RXR-alpha
Authors:Rochel, N, Krezel, W, Ruhl, R.
Deposit date:2015-05-13
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:9-cis-13,14-Dihydroretinoic Acid Is an Endogenous Retinoid Acting as RXR Ligand in Mice.
Plos Genet., 11, 2015
5AZV
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BU of 5azv by Molmil
Crystal structure of hPPARgamma ligand binding domain complexed with 17-oxoDHA
Descriptor: (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Egawa, D, Itoh, T, Yamamoto, K.
Deposit date:2015-10-23
Release date:2016-07-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:17-OxoDHA Is a PPAR alpha/gamma Dual Covalent Modifier and Agonist
Acs Chem.Biol., 2016
7XVY
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BU of 7xvy by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN
Descriptor: (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-25
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWR
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BU of 7xwr by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
Descriptor: (2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-27
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.164 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWQ
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BU of 7xwq by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
Descriptor: (2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-27
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWP
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BU of 7xwp by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
Descriptor: (2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-27
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.919 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
5AWJ
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BU of 5awj by Molmil
Crystal structure of VDR-LBD/partial agonist complex: 22S-hexyl analogue
Descriptor: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor,Vitamin D3 receptor
Authors:Anami, Y, Itoh, T, Inaba, Y, Nakabayashi, M, Ikura, T, Ito, N, Yamamoto, K.
Deposit date:2015-07-04
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity.
Bioorg.Med.Chem., 23, 2015
7XVA
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BU of 7xva by Molmil
Crystal structure of the Human TR4 Ligand Binding Domain in complex with the JAZF1 corepressor fragment
Descriptor: Juxtaposed with another zinc finger protein 1, Nuclear receptor subfamily 2 group C member 2
Authors:Liu, Y, Chen, Z.
Deposit date:2022-05-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.856 Å)
Cite:Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7ZFX
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BU of 7zfx by Molmil
VDR complex with Aromatic-D-Ring Analog
Descriptor: (1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
Authors:Rochel, N.
Deposit date:2022-04-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
J.Med.Chem., 65, 2022
7ZFG
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VDR complex with aromatic D-ring analog
Descriptor: (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
Authors:Rochel, N.
Deposit date:2022-04-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
J.Med.Chem., 65, 2022
7YXP
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BU of 7yxp by Molmil
Crystal structure of WT AncGR2-LBD WT bound to dexamethasone and SHP coregulator fragment
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXD
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BU of 7yxd by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, SHP NR Box 1 Peptide, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-15
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXC
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BU of 7yxc by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, CARBONATE ION, DEXAMETHASONE, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-15
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXO
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Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXR
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BU of 7yxr by Molmil
Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXN
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BU of 7yxn by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
5B5B
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BU of 5b5b by Molmil
Crystal structure of VDR-LBD complexed with 2-methylidene-26,27-diphenyl-19-nor-1,25-dihydroxyvitamin D3
Descriptor: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Kato, A, Itoh, T, Yamamoto, K.
Deposit date:2016-05-02
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Helix12-Stabilization Antagonist of Vitamin D Receptor
Bioconjug.Chem., 27, 2016

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數據於2024-07-24公開中

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