6LOC
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![BU of 6loc by Molmil](/molmil-images/mine/6loc) | Crystal structure of RORgammat with ligand C46D bound | Descriptor: | 6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma | Authors: | Feng, Y, Shijie, C. | Deposit date: | 2020-01-04 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20014858 Å) | Cite: | Crystal structure of RORgammat with ligand C46D bound To Be Published
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6LO9
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![BU of 6lo9 by Molmil](/molmil-images/mine/6lo9) | Crystal structure of RORgammat with ligand C46D bound | Descriptor: | 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma | Authors: | Feng, Y, Shijie, C. | Deposit date: | 2020-01-04 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86004949 Å) | Cite: | Crystal structure of RORgammat with ligand C46D bound To Be Published
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6LOB
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![BU of 6lob by Molmil](/molmil-images/mine/6lob) | Crystal structure of RORgammat with ligand C46D bound | Descriptor: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma | Authors: | Feng, Y, Shijie, C. | Deposit date: | 2020-01-04 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.40006661 Å) | Cite: | Crystal structure of RORgammat with ligand C46D bound To Be Published
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6LN4
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![BU of 6ln4 by Molmil](/molmil-images/mine/6ln4) | Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a | Descriptor: | 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-12-28 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta. J.Mol.Biol., 432, 2020
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6VC2
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![BU of 6vc2 by Molmil](/molmil-images/mine/6vc2) | LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator | Descriptor: | (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 | Authors: | Mays, S.G, Ortlund, E.A. | Deposit date: | 2019-12-20 | Release date: | 2020-12-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist. Sci Rep, 10, 2020
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6TSG
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![BU of 6tsg by Molmil](/molmil-images/mine/6tsg) | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC | Descriptor: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-20 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma. J.Med.Chem., 63, 2020
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6LIT
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![BU of 6lit by Molmil](/molmil-images/mine/6lit) | Estrogen-related receptor beta(ERR2) in complex with BPA | Descriptor: | 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-12-13 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta. J.Mol.Biol., 432, 2020
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6V8T
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![BU of 6v8t by Molmil](/molmil-images/mine/6v8t) | |
6V87
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![BU of 6v87 by Molmil](/molmil-images/mine/6v87) | |
6TLT
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![BU of 6tlt by Molmil](/molmil-images/mine/6tlt) | ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand Glenmark | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
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6TLM
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![BU of 6tlm by Molmil](/molmil-images/mine/6tlm) | ROR(gamma)t ligand binding domain in complex with allosteric ligand compound 13 (Glenmark) | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-12-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.321 Å) | Cite: | Elucidation of an Allosteric Mode of Action for a Thienopyrazole ROR gamma t Inverse Agonist. Chemmedchem, 15, 2020
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6TLQ
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![BU of 6tlq by Molmil](/molmil-images/mine/6tlq) | ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, CHOLESTEROL, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
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6TFI
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![BU of 6tfi by Molmil](/molmil-images/mine/6tfi) | PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hillig, R.C, Puetter, V. | Deposit date: | 2019-11-14 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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6LB5
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![BU of 6lb5 by Molmil](/molmil-images/mine/6lb5) | Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator | Descriptor: | 6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N. | Deposit date: | 2019-11-13 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator To Be Published
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6LB4
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![BU of 6lb4 by Molmil](/molmil-images/mine/6lb4) | Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator | Descriptor: | 1,2-ETHANEDIOL, 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, ... | Authors: | Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N. | Deposit date: | 2019-11-13 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator To Be Published
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6LB6
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![BU of 6lb6 by Molmil](/molmil-images/mine/6lb6) | Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator | Descriptor: | 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N. | Deposit date: | 2019-11-13 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator To Be Published
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6L96
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![BU of 6l96 by Molmil](/molmil-images/mine/6l96) | Structure of PPARalpha-LBD/pemafibrate/SRC1 peptide | Descriptor: | (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 | Authors: | Kawasaki, M, Kambe, A, Yamamoto, Y, Arulmozhira, S, Ito, S, Nakagawa, Y, Tokiwa, H, Nakano, S, Shimano, H. | Deposit date: | 2019-11-08 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | 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
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6TDC
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![BU of 6tdc by Molmil](/molmil-images/mine/6tdc) | |
6L89
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![BU of 6l89 by Molmil](/molmil-images/mine/6l89) | Human PPARgamma ligand binding domain complexed with Butyrolactone 1 | Descriptor: | 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 | Authors: | Jang, D.M, Han, B.W. | Deposit date: | 2019-11-05 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cyclin-Dependent Kinase 5 Inhibitor Butyrolactone I Elicits a Partial Agonist Activity of Peroxisome Proliferator-Activated Receptor gamma. Biomolecules, 10, 2020
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6L8B
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![BU of 6l8b by Molmil](/molmil-images/mine/6l8b) | The ligand-free structure of human PPARgamma LBD | Descriptor: | Peroxisome proliferator-activated receptor gamma | Authors: | Jang, D.M, Han, B.W. | Deposit date: | 2019-11-05 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Cyclin-Dependent Kinase 5 Inhibitor Butyrolactone I Elicits a Partial Agonist Activity of Peroxisome Proliferator-Activated Receptor gamma. Biomolecules, 10, 2020
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6L88
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![BU of 6l88 by Molmil](/molmil-images/mine/6l88) | |
6L6K
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![BU of 6l6k by Molmil](/molmil-images/mine/6l6k) | Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 | Descriptor: | 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ... | Authors: | Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N. | Deposit date: | 2019-10-29 | Release date: | 2020-11-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 To Be Published
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6T9C
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![BU of 6t9c by Molmil](/molmil-images/mine/6t9c) | |
6T6B
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![BU of 6t6b by Molmil](/molmil-images/mine/6t6b) | Crystal structure of PPARgamma in complex with compound 16 (MF27) | Descriptor: | (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Ni, X, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-18 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode. J.Med.Chem., 63, 2020
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6T4W
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![BU of 6t4w by Molmil](/molmil-images/mine/6t4w) | ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand Glenmark | Descriptor: | (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, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
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