Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

6G05
DownloadVisualize
BU of 6g05 by Molmil
RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-2" AND RIP140 PEPTIDE AT 1.90A
分子名称: 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Kallen, J.
登録日2018-03-16
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
6FZG
DownloadVisualize
BU of 6fzg by Molmil
PPAR gamma mutant complex
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma
著者Rochel, N.
登録日2018-03-14
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6GEV
DownloadVisualize
BU of 6gev by Molmil
Mineralocorticoid receptor in complex with (s)-13
分子名称: 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ...
著者Edman, K, Aagaard, A, Tangefjord, S.
登録日2018-04-27
公開日2019-01-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
5MMW
DownloadVisualize
BU of 5mmw by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 6 and a fragment of the TIF2 co-activator.
分子名称: (~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha
著者Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C.
登録日2016-12-12
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
3PCU
DownloadVisualize
BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
分子名称: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
登録日2010-10-22
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
3PEQ
DownloadVisualize
BU of 3peq by Molmil
PPARd complexed with a phenoxyacetic acid partial agonist
分子名称: IODIDE ION, Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, ...
著者Lambert, M.H, Evans, K.A, Shearer, B.G, Wisnoski, D.D, Shi, D, Jin, J, Rivero, R.A, Sparks, S.M, Winegar, D.A, Billin, A.N, Britt, C, Way, J.M, Leesnitzer, L.M, Merrihew, R.V.
登録日2010-10-27
公開日2011-10-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21, 2011
7BNS
DownloadVisualize
BU of 7bns by Molmil
VDR complex with BXL-62
分子名称: 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2021-01-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
5MKU
DownloadVisualize
BU of 5mku by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator.
分子名称: (~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha
著者Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C.
登録日2016-12-05
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
7BNU
DownloadVisualize
BU of 7bnu by Molmil
VDR complex with BXL-62
分子名称: 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2021-01-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
7C7V
DownloadVisualize
BU of 7c7v by Molmil
Vitamin D3 receptor/lithochoric acid derivative complex
分子名称: (4R)-4-[(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]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ...
著者Masuno, H, Numoto, N, Kagechika, H, Ito, N.
登録日2020-05-26
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
J.Med.Chem., 64, 2021
7C7W
DownloadVisualize
BU of 7c7w by Molmil
Vitamin D3 receptor/lithochoric acid derivative complex
分子名称: (4R)-4-[(3S,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]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ...
著者Masuno, H, Numoto, N, Kagechika, H, Ito, N.
登録日2020-05-26
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
J.Med.Chem., 64, 2021
5M96
DownloadVisualize
BU of 5m96 by Molmil
Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists
分子名称: Nuclear receptor ROR-gamma, ~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide
著者Kallen, J.
登録日2016-10-31
公開日2016-12-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Synthesis and Biological Evaluation of New Triazolo- and Imidazolopyridine ROR gamma t Inverse Agonists.
ChemMedChem, 11, 2016
5MWP
DownloadVisualize
BU of 5mwp by Molmil
The structure of MR in complex with AZD9977.
分子名称: 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide
著者Edman, K, Aagaard, A, Backstrom, S.
登録日2017-01-19
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
5MWY
DownloadVisualize
BU of 5mwy by Molmil
The structure of MR in complex with eplerenone.
分子名称: Mineralocorticoid receptor, NCOA1, eplerenone
著者Edman, K, Aagaard, A, Backstrom, S.
登録日2017-01-20
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
5MK4
DownloadVisualize
BU of 5mk4 by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 and a fragment of the TIF2 co-activator.
分子名称: (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, CHLORIDE ION, Nuclear receptor coactivator 2, ...
著者Andrei, S.A, Scheepstra, M, Brunsveld, L, Ottmann, C.
登録日2016-12-02
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
5MX7
DownloadVisualize
BU of 5mx7 by Molmil
1a,20S-dihydroxyvitamin D3 VDR complex
分子名称: 1a,20S-dihydroxyvitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2017-01-21
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献1 alpha,20S-Dihydroxyvitamin D3 Interacts with Vitamin D Receptor: Crystal Structure and Route of Chemical Synthesis.
Sci Rep, 7, 2017
7C6Q
DownloadVisualize
BU of 7c6q by Molmil
Novel natural PPARalpha agonist with a unique binding mode
分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha
著者Tian, S.Y, Wang, R, Zheng, W.L, Li, Y.
登録日2020-05-22
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition.
Molecules, 26, 2021
5NI7
DownloadVisualize
BU of 5ni7 by Molmil
Ligand complex of RORg LBD
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2017-03-23
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
5NFT
DownloadVisualize
BU of 5nft by Molmil
Glucocorticoid Receptor in complex with AZD5423
分子名称: 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide, Glucocorticoid receptor, ...
著者Edman, K, Wissler, L.
登録日2017-03-15
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
5NMB
DownloadVisualize
BU of 5nmb by Molmil
Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain
分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2017-04-05
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
3PRG
DownloadVisualize
BU of 3prg by Molmil
LIGAND BINDING DOMAIN OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
分子名称: PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA
著者Uppenberg, J, Svensson, C, Jaki, M, Bertilsson, G, Jendeberg, L, Berkenstam, A.
登録日1998-08-24
公開日1999-08-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the ligand binding domain of the human nuclear receptor PPARgamma.
J.Biol.Chem., 273, 1998
5NFP
DownloadVisualize
BU of 5nfp by Molmil
Glucocorticoid Receptor in complex with budesonide
分子名称: (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
著者Edman, K, Wissler, L.
登録日2017-03-15
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
3R5N
DownloadVisualize
BU of 3r5n by Molmil
Crystal structure of PPARgammaLBD complexed with the agonist magnolol
分子名称: 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Peroxisome proliferator-activated receptor gamma
著者Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X.
登録日2011-03-18
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma).
Plos One, 6, 2011
5NIB
DownloadVisualize
BU of 5nib by Molmil
Ligand complex of RORg LBD
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2017-03-23
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
5NKY
DownloadVisualize
BU of 5nky by Molmil
Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain
分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2017-04-03
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon