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3VT3
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BU of 3vt3 by Molmil
Crystal structures of rat VDR-LBD with R270L mutation
Descriptor: 1,2-ETHANEDIOL, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, COACTIVATOR PEPTIDE DRIP, ...
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3VT9
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BU of 3vt9 by Molmil
Crystal structures of rat VDR-LBD with W282R mutation
Descriptor: (1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3MNP
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BU of 3mnp by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, V708A, E711G) mutations at 1.50A
Descriptor: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
Deposit date:2010-04-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
3VTD
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BU of 3vtd by Molmil
Crystal structure of rat vitamin D receptor bound to a partial agonist 26-adamantyl-23-yne-19-norvitammin D ADTK4
Descriptor: (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N.
Deposit date:2012-05-26
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
3W0C
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BU of 3w0c by Molmil
Crystal Structure Analysis of Vitamin D receptor
Descriptor: (4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid, Vitamin D3 receptor
Authors:Itoh, S, Iijima, S.
Deposit date:2012-10-29
Release date:2013-11-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:structure analysis of vitamin D receptor
To be Published
3VRW
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BU of 3vrw by Molmil
VDR ligand binding domain in complex with 22S-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3
Descriptor: (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K.
Deposit date:2012-04-16
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
3VRV
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BU of 3vrv by Molmil
VDR ligand binding domain in complex with 2-Methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3
Descriptor: (1R,3R,7E,17beta)-17-[(2R)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K.
Deposit date:2012-04-14
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
3VT8
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BU of 3vt8 by Molmil
Crystal structures of rat VDR-LBD with W282R mutation
Descriptor: (1R,3R,7E,9beta,17beta)-9-butyl-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3NSQ
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BU of 3nsq by Molmil
Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron
Descriptor: 1,8-dihydroxyanthracene-9,10-dione, Retinoid X receptor, alpha
Authors:Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
3W0H
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BU of 3w0h by Molmil
Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands
Descriptor: (2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
3W0G
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BU of 3w0g by Molmil
Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands
Descriptor: (2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
7A7H
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BU of 7a7h by Molmil
Crystal structure of PPARgamma in complex with compound TK90
Descriptor: (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid, 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma
Authors:Ni, X, Kirchner, T, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-08-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Combined Cardioprotective and Adipocyte Browning Effects Promoted by the Eutomer of Dual sEH/PPAR gamma Modulator.
J.Med.Chem., 64, 2021
3W0J
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BU of 3w0j by Molmil
Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands
Descriptor: (2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 Receptor
Authors:Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
3W0A
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BU of 3w0a by Molmil
Crystal Structure Analysis of Vitamin D receptor
Descriptor: (4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid, Vitamin D3 receptor
Authors:Itoh, S, Iijima, S.
Deposit date:2012-10-25
Release date:2013-11-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:structure analysis of vitamin D3 receptor
To be Published
3W0Y
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BU of 3w0y by Molmil
Crystal Structure Analysis of Vitamin D receptor
Descriptor: Vitamin D3 receptor, [3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid
Authors:Itoh, S, Iijima, S.
Deposit date:2012-11-05
Release date:2013-11-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure Analysis of Vitamin D receptor
TO BE PUBLISHED
3W5P
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BU of 3w5p by Molmil
Crystal structure of complexes of vitamin D receptor ligand binding domain with lithocholic acid derivatives
Descriptor: (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Masuno, H, Ikura, T, Ito, N.
Deposit date:2013-02-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of complexes of vitamin D receptor ligand-binding domain with lithocholic acid derivatives.
J.Lipid Res., 54, 2013
3E94
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BU of 3e94 by Molmil
Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment
Descriptor: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ...
Authors:Bourguet, W, Le Maire, A.
Deposit date:2008-08-21
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activation of RXR-PPAR heterodimers by organotin environmental endocrine disruptors
Embo Rep., 10, 2009
7AWD
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BU of 7awd by Molmil
Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with garcinoic acid
Descriptor: (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid, CITRIC ACID, GLYCEROL, ...
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-06
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Endogenous vitamin E metabolites mediate allosteric PPAR gamma activation with unprecedented co-regulatory interactions.
Cell Chem Biol, 28, 2021
7AXA
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BU of 7axa by Molmil
Crystal structure of the hPXR-LBD in complex with clotrimazole
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Nuclear receptor subfamily 1 group I member 2
Authors:Delfosse, V, Granell, M, Blanc, P, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXF
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BU of 7axf by Molmil
Crystal structure of the hPXR-LBD in complex with pretilachlor
Descriptor: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, pretilachlor
Authors:Harrus, D, Delfosse, V, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
3W5Q
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BU of 3w5q by Molmil
Crystal structure of complexes of vitamin D receptor ligand binding domain with lithocholic acid derivatives
Descriptor: (5beta,9beta)-3-oxocholan-24-oic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Masuno, H, Ikura, T, Ito, N.
Deposit date:2013-02-05
Release date:2013-06-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of complexes of vitamin D receptor ligand-binding domain with lithocholic acid derivatives.
J.Lipid Res., 54, 2013
3ERD
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BU of 3erd by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH DIETHYLSTILBESTROL AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor: ACETIC ACID, CHLORIDE ION, DIETHYLSTILBESTROL, ...
Authors:Shiau, A.K, Barstad, D, Loria, P.M, Cheng, L, Kushner, P.J, Agard, D.A, Greene, G.L.
Deposit date:1999-03-31
Release date:1999-04-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen.
Cell(Cambridge,Mass.), 95, 1998
3ET2
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BU of 3et2 by Molmil
Structure of PPARdelta with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Descriptor: 1-BUTANOL, 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3O1D
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BU of 3o1d by Molmil
Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Descriptor: (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
Authors:Huet, T, Moras, D, Rochel, N.
Deposit date:2010-07-21
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4007 Å)
Cite:Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Medchemcomm, 2, 2011
3W5R
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BU of 3w5r by Molmil
Crystal structure of complexes of vitamin D receptor ligand binding domain with lithocholic acid derivatives
Descriptor: (3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Masuno, H, Ikura, T, Ito, N.
Deposit date:2013-02-06
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of complexes of vitamin D receptor ligand-binding domain with lithocholic acid derivatives.
J.Lipid Res., 54, 2013

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数据于2024-07-17公开中

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