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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
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
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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BU of 3kdt 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-(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
3K22
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BU of 3k22 by Molmil
Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide
Descriptor: Glucocorticoid receptor, N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide, Transcriptional Intermediary Factor 2, ...
Authors:Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
Deposit date:2009-09-29
Release date:2010-08-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3K23
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BU of 3k23 by Molmil
Glucocorticoid Receptor with Bound D-prolinamide 11
Descriptor: 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
Deposit date:2009-09-29
Release date:2009-10-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3JZB
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BU of 3jzb by Molmil
Crystal Structure of TR-alfa bound to the selective thyromimetic TRIAC
Descriptor: THRA protein, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Authors:Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R.
Deposit date:2009-09-23
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Gaining ligand selectivity in thyroid hormone receptors via entropy.
Proc.Natl.Acad.Sci.USA, 106, 2009
3L0L
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BU of 3l0l by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
Descriptor: 25-HYDROXYCHOLESTEROL, Nuclear receptor ROR-gamma, SCR2-2
Authors:Martynowski, D, Li, Y.
Deposit date:2009-12-10
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
3L3Z
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BU of 3l3z by Molmil
Crystal structure of DHT-bound androgen receptor in complex with the third motif of steroid receptor coactivator 3
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 3
Authors:Zhou, X.E, Suino-Powell, K.M, Li, J, He, A, MacKeigan, J.P, Melcher, K, Yong, E.-L, Xu, H.E.
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor.
J.Biol.Chem., 285, 2010
3HLV
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BU of 3hlv by Molmil
Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and 16-alpha-hydroxy-estrone ((8S,9R,13S,14R,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Descriptor: (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
Deposit date:2009-05-28
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human alphaER-LBD in complex with GRIP peptide and 16alpha-hydroxyestrone
To be Published
3HM1
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BU of 3hm1 by Molmil
Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one)
Descriptor: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Kim, Y, Vanek, K, Liwanag, M, Joachimiak, A, Greene, G.L.
Deposit date:2009-05-28
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one)
To be Published
3HO0
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BU of 3ho0 by Molmil
Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid
Descriptor: (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E.
Deposit date:2009-06-01
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
3K6P
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BU of 3k6p by Molmil
Estrogen Related Receptor alpha in Complex with an Ether Based Ligand
Descriptor: 4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile, Steroid hormone receptor ERR1
Authors:Abad, M.C, Patch, R.J.
Deposit date:2009-10-09
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Development of Diaryl Ether based ligands for Estrogen Related Receptor alpha as Potential Anti-Diabetic Agents.
To be Published
3K8S
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BU of 3k8s by Molmil
Crystal Structure of PPARg in complex with T2384
Descriptor: 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide, Peroxisome proliferator-activated receptor gamma
Authors:Wang, Z.
Deposit date:2009-10-14
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:T2384, a novel antidiabetic agent with unique peroxisome proliferator-activated receptor gamma binding properties
J.Biol.Chem., 283, 2008
3JZC
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BU of 3jzc by Molmil
Crystal Structure of TR-beta bound to the selective thyromimetic TRIAC
Descriptor: Thyroid hormone receptor beta, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Authors:Nascimento, A.S, Dias, S.G.M, Nunes, F.M, Aparicio, R.
Deposit date:2009-09-23
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Gaining ligand selectivity in thyroid hormone receptors via entropy.
Proc.Natl.Acad.Sci.USA, 106, 2009
3KBA
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BU of 3kba by Molmil
Progesterone receptor bound to sulfonamide pyrrolidine partial agonist
Descriptor: 2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile, Progesterone receptor, SULFATE ION
Authors:Kallander, L.S, Washburn, D.G, Williams, S.P, Madauss, K.P.
Deposit date:2009-10-20
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the developability profile of pyrrolidine progesterone receptor partial agonists.
Bioorg.Med.Chem.Lett., 20, 2010
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
3HOD
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BU of 3hod by Molmil
Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid
Descriptor: (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E.
Deposit date:2009-06-02
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
3L1B
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BU of 3l1b by Molmil
Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound
Descriptor: 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Farnesoid X receptor
Authors:Xu, W, Lundquist, J.T.
Deposit date:2009-12-11
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates.
J.Med.Chem., 53, 2010
3LBD
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BU of 3lbd by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO 9-CIS RETINOIC ACID
Descriptor: (9cis)-retinoic acid, RETINOIC ACID RECEPTOR GAMMA
Authors:Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:1998-02-04
Release date:1999-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational adaptation of agonists to the human nuclear receptor RAR gamma.
Nat.Struct.Biol., 5, 1998

223790

数据于2024-08-14公开中

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