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2JF9
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ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A TAMOXIFEN-SPECIFIC PEPTIDE ANTAGONIST
Descriptor: 1,2-ETHANEDIOL, 4-HYDROXYTAMOXIFEN, AB5 PEPTIDE, ...
Authors:Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W.
Deposit date:2007-01-29
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors.
J.Biol.Chem., 282, 2007
3UUD
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Crystal structure of hERa-LBD (Y537S) in complex with estradiol
Descriptor: 1,2-ETHANEDIOL, ESTRADIOL, Estrogen receptor, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2011-11-28
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-14
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
3VJH
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Human PPAR GAMMA ligand binding domain in complex with JKPL35
Descriptor: (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T.
Deposit date:2011-10-20
Release date:2012-08-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
3VJT
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Vitamin D receptor complex with a carborane compound
Descriptor: 1-(2-[(R)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane, Vitamin D3 receptor, peptide from Mediator of RNA polymerase II transcription subunit 1
Authors:Fujii, S, Masuno, M, Kagechika, H, Nakabayashi, M, Ito, N.
Deposit date:2011-10-31
Release date:2012-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Boron Cluster-based Development of Potent Nonsecosteroidal Vitamin D Receptor Ligands: Direct Observation of Hydrophobic Interaction between Protein Surface and Carborane
J.Am.Chem.Soc., 133, 2011
3V9Y
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Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: 4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2011-12-28
Release date:2012-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2012
3VHV
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Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist
Descriptor: 1,2-ETHANEDIOL, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, ...
Authors:Sogabe, S, Habuka, N.
Deposit date:2011-09-07
Release date:2011-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
3VJS
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Vitamin D receptor complex with a carborane compound
Descriptor: 1-(2-[(S)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane, Vitamin D3 receptor, peptide from Mediator of RNA polymerase II transcription subunit 1
Authors:Fujii, S, Masuno, M, Kagechika, H, Nakabayashi, M, Ito, N.
Deposit date:2011-10-31
Release date:2012-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Boron Cluster-based Development of Potent Nonsecosteroidal Vitamin D Receptor Ligands: Direct Observation of Hydrophobic Interaction between Protein Surface and Carborane
J.Am.Chem.Soc., 133, 2011
5ICK
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BU of 5ick by Molmil
A unique binding model of FXR LBD with feroline
Descriptor: (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-23
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
3ILZ
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BU of 3ilz by Molmil
Structure of TR-alfa bound to selective thyromimetic GC-1 in P212121 space group
Descriptor: Thyroid hormone receptor, alpha isoform 1 variant, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
Authors:Aparicio, R, Polikarpov, L, Bleicher, L.
Deposit date:2009-08-07
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms.
Bmc Struct.Biol., 8, 2008
5IXK
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RORgamma in complex with inverse agonist BIO399.
Descriptor: N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma
Authors:Marcotte, D.J.
Deposit date:2016-03-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
3IMY
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BU of 3imy by Molmil
Structure of TR-beta bound to selective thyromimetic GC-1
Descriptor: Thyroid hormone receptor beta, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
Authors:Bleicher, L, Polikarpov, L, Aparicio, R.
Deposit date:2009-08-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms.
BMC STRUCT.BIOL., 8, 2008
3IXP
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BU of 3ixp by Molmil
Crystal structure of the ecdysone receptor bound to BYI08346
Descriptor: Ecdysone receptor, Gene regulation protein, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ...
Authors:Moras, D, Billas, I.M.L, Browning, C.
Deposit date:2009-09-04
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Adaptability of the ecdysone receptor bound to synthetic ligands
To be Published
3IA6
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BU of 3ia6 by Molmil
X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
Descriptor: (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2009-07-13
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Synthesis and evaluation of novel alpha-heteroaryl-phenylpropanoic acid derivatives as PPARalpha/gamma dual agonists.
Bioorg.Med.Chem., 17, 2009
3KFC
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BU of 3kfc by Molmil
Complex Structure of LXR with an agonist
Descriptor: 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline, Oxysterols receptor LXR-beta
Authors:Olland, A, Bernotas, R.C, Unwalla, R.
Deposit date:2009-10-27
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists.
Bioorg.Med.Chem.Lett., 20, 2010
3KMR
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BU of 3kmr by Molmil
Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment
Descriptor: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
Authors:Bourguet, W, Teyssier, C.
Deposit date:2009-11-11
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
3KYT
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BU of 3kyt by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
Descriptor: 20-HYDROXYCHOLESTEROL, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2
Authors:Martynowski, D, Li, Y.
Deposit date:2009-12-07
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
3L0J
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BU of 3l0j by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
Descriptor: (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2
Authors:Martynowski, D, Li, Y.
Deposit date:2009-12-10
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
5K38
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BU of 5k38 by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
Descriptor: Nuclear receptor ROR-gamma
Authors:Lu, J, Rastinejad, F.
Deposit date:2016-05-19
Release date:2017-05-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
To be published
5K74
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BU of 5k74 by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0655870
Descriptor: Nuclear receptor ROR-gamma, ~{N}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{N}-(2-methylpropyl)-1-phenyl-methanesulfonamide
Authors:Lu, J, Rastinejad, F.
Deposit date:2016-05-25
Release date:2017-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0655870
To be published
5K3L
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BU of 5k3l by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma
Authors:Huang, P, Rastinejad, F.
Deposit date:2016-05-19
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
To be published
5KCC
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BU of 5kcc by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N)
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
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:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.386 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
3KMG
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BU of 3kmg by Molmil
The X-ray Crystal Structure of PPAR-gamma in Complex with an Indole Derivative Modulator, GSK538, and an SRC-1 Peptide
Descriptor: 4'-[(2,3-dimethyl-5-{[(1S)-1-phenylpropyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma, Steroid Receptor Coactivator-1
Authors:Gampe, R.
Deposit date:2009-11-10
Release date:2010-01-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and biological activities of novel indole derivatives as potent and selective PPAR-gamma modulators
TO BE PUBLISHED
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010

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數據於2024-07-17公開中

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