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6LOC
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BU of 6loc by Molmil
Crystal structure of RORgammat with ligand C46D bound
分子名称: 6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma
著者Feng, Y, Shijie, C.
登録日2020-01-04
公開日2021-01-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.20014858 Å)
主引用文献Crystal structure of RORgammat with ligand C46D bound
To Be Published
6LO9
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BU of 6lo9 by Molmil
Crystal structure of RORgammat with ligand C46D bound
分子名称: 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma
著者Feng, Y, Shijie, C.
登録日2020-01-04
公開日2021-01-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86004949 Å)
主引用文献Crystal structure of RORgammat with ligand C46D bound
To Be Published
6LOB
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BU of 6lob by Molmil
Crystal structure of RORgammat with ligand C46D bound
分子名称: 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma
著者Feng, Y, Shijie, C.
登録日2020-01-04
公開日2021-01-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.40006661 Å)
主引用文献Crystal structure of RORgammat with ligand C46D bound
To Be Published
6LN4
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BU of 6ln4 by Molmil
Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a
分子名称: 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2
著者Yao, B.Q, Li, Y.
登録日2019-12-28
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
6VC2
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BU of 6vc2 by Molmil
LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator
分子名称: (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Mays, S.G, Ortlund, E.A.
登録日2019-12-20
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist.
Sci Rep, 10, 2020
6TSG
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BU of 6tsg by Molmil
Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC
分子名称: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-12-20
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma.
J.Med.Chem., 63, 2020
6LIT
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BU of 6lit by Molmil
Estrogen-related receptor beta(ERR2) in complex with BPA
分子名称: 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2
著者Yao, B.Q, Li, Y.
登録日2019-12-13
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
6V8T
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BU of 6v8t by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102
分子名称: Estrogen receptor, LSZ102
著者Fanning, S.W, Greene, G.L.
登録日2019-12-12
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
6V87
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Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen
分子名称: 4-HYDROXYTAMOXIFEN, Estrogen receptor
著者Fanning, S.W, Greene, G.L.
登録日2019-12-10
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Estrogen Receptor Alpha
To Be Published
6TLT
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BU of 6tlt by Molmil
ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand Glenmark
分子名称: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
著者de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6TLM
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BU of 6tlm by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand compound 13 (Glenmark)
分子名称: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma
著者de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2019-12-03
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.321 Å)
主引用文献Elucidation of an Allosteric Mode of Action for a Thienopyrazole ROR gamma t Inverse Agonist.
Chemmedchem, 15, 2020
6TLQ
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BU of 6tlq by Molmil
ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark
分子名称: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, CHOLESTEROL, GLYCEROL, ...
著者de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6TFI
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BU of 6tfi by Molmil
PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hillig, R.C, Puetter, V.
登録日2019-11-14
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
6LB5
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BU of 6lb5 by Molmil
Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator
分子名称: 6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
登録日2019-11-13
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator
To Be Published
6LB4
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BU of 6lb4 by Molmil
Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
分子名称: 1,2-ETHANEDIOL, 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, ...
著者Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
登録日2019-11-13
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
To Be Published
6LB6
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BU of 6lb6 by Molmil
Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator
分子名称: 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
登録日2019-11-13
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator
To Be Published
6L96
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BU of 6l96 by Molmil
Structure of PPARalpha-LBD/pemafibrate/SRC1 peptide
分子名称: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, Peroxisome proliferator-activated receptor alpha, SRC1 coactivator peptide
著者Kawasaki, M, Kambe, A, Yamamoto, Y, Arulmozhira, S, Ito, S, Nakagawa, Y, Tokiwa, H, Nakano, S, Shimano, H.
登録日2019-11-08
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Elucidation of Molecular Mechanism of a Selective PPAR alpha Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations.
Int J Mol Sci, 21, 2020
6TDC
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BU of 6tdc by Molmil
PPAR gamma ligand binding domain in complex with MRL-871
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma
著者de Vries, R.M.J.M, Leijten-van de Gevel, I.A, van Herk, K.H.N, Brunsveld, L.
登録日2019-11-08
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.328 Å)
主引用文献Binding of PPAR(gamma) to MRL871
To Be Published
6L89
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BU of 6l89 by Molmil
Human PPARgamma ligand binding domain complexed with Butyrolactone 1
分子名称: Peroxisome proliferator-activated receptor gamma, methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
著者Jang, D.M, Han, B.W.
登録日2019-11-05
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cyclin-Dependent Kinase 5 Inhibitor Butyrolactone I Elicits a Partial Agonist Activity of Peroxisome Proliferator-Activated Receptor gamma.
Biomolecules, 10, 2020
6L8B
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BU of 6l8b by Molmil
The ligand-free structure of human PPARgamma LBD
分子名称: Peroxisome proliferator-activated receptor gamma
著者Jang, D.M, Han, B.W.
登録日2019-11-05
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Cyclin-Dependent Kinase 5 Inhibitor Butyrolactone I Elicits a Partial Agonist Activity of Peroxisome Proliferator-Activated Receptor gamma.
Biomolecules, 10, 2020
6L88
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Crystal structure of mineralocorticoid receptor ligand binding domain in complex with esaxerenone
分子名称: 1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide, Mineralocorticoid receptor
著者Takahashi, M, Hanzawa, H.
登録日2019-11-05
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the mineralocorticoid receptor ligand-binding domain in complex with a potent and selective nonsteroidal blocker, esaxerenone (CS-3150).
Febs Lett., 594, 2020
6L6K
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BU of 6l6k by Molmil
Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
分子名称: 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ...
著者Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N.
登録日2019-10-29
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
To Be Published
6T9C
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BU of 6t9c by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a)
分子名称: 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D.
登録日2019-10-27
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights into PPAR gamma Phosphorylation and Its Inhibition Mechanism.
J.Med.Chem., 63, 2020
6T6B
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Crystal structure of PPARgamma in complex with compound 16 (MF27)
分子名称: (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Ni, X, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-18
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode.
J.Med.Chem., 63, 2020
6T4W
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BU of 6t4w by Molmil
ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand Glenmark
分子名称: (3alpha,8alpha)-cholest-5-ene-3,20-diol, 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, ...
著者de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2019-10-15
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021

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件を2024-06-12に公開中

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