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5M4M
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BU of 5m4m by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Descriptor: CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
Authors:Baker, L.M, Brough, P, Surgenor, A.
Deposit date:2016-10-18
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
5M4K
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BU of 5m4k by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Descriptor: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
Authors:Baker, L.M, Brough, P, Surgenor, A.
Deposit date:2016-10-18
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
3D57
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BU of 3d57 by Molmil
TR Variant D355R
Descriptor: SULFATE ION, Thyroid hormone receptor beta, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Authors:Jouravel, N.
Deposit date:2008-05-15
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis for dimer formation of TRbeta variant D355R.
Proteins, 75, 2008
5M4P
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BU of 5m4p by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Descriptor: CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
Authors:Baker, L.M, Brough, P, Surgenor, A.
Deposit date:2016-10-18
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
2QPY
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BU of 2qpy by Molmil
AR LBD with small molecule
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ...
Authors:Estebanez-Perpina, E, Fletterick, R.
Deposit date:2007-07-25
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4BCR
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BU of 4bcr by Molmil
Structure of PPARalpha in complex with WY14643
Descriptor: 1,2-ETHANEDIOL, 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA
Authors:Bernardes, A, Muniz, J.R.C, Polikarpov, I.
Deposit date:2012-10-02
Release date:2013-05-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Molecular Mechanism of Peroxisome Proliferator-Activated Receptor Alpha Activation by Wy14643: A New Mode of Ligand Recognition and Receptor Stabilization
J.Mol.Biol., 425, 2013
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
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
3HZF
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BU of 3hzf by Molmil
Structure of TR-alfa bound to selective thyromimetic GC-1 in C2 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, Bleicher, L, Polikarpov, I.
Deposit date:2009-06-23
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms.
Bmc Struct.Biol., 8, 2008
5M4E
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BU of 5m4e by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION, ~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
Authors:Baker, L.M.
Deposit date:2016-10-18
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
3SZ1
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BU of 3sz1 by Molmil
Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MYRISTIC ACID, Peroxisome proliferator-activated receptor gamma, ...
Authors:Puhl, A.C, Bernardes, A, Polikarpov, I.
Deposit date:2011-07-18
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mode of peroxisome proliferator-activated receptor gamma activation by luteolin.
Mol.Pharmacol., 81, 2012
3TKM
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BU of 3tkm by Molmil
Crystal structure PPAR delta binding GW0742
Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor delta, {4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid
Authors:Trivella, D.B.B, Batista, F.H, Polikarpov, I.
Deposit date:2011-08-27
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Structural Insights into Human Peroxisome Proliferator Activated Receptor Delta (PPAR-Delta) Selective Ligand Binding.
Plos One, 7, 2012
4EMA
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BU of 4ema by Molmil
Human peroxisome proliferator-activated receptor gamma in complex with rosiglitazone
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma
Authors:Liberato, M.V, Nascimento, A.S, Polikarpov, I.
Deposit date:2012-04-11
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
4EM9
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BU of 4em9 by Molmil
Human PPAR gamma in complex with nonanoic acids
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ...
Authors:Liberato, M.V, Nascimento, A.S, Polikarpov, I.
Deposit date:2012-04-11
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
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數據於2024-06-12公開中

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