7AX8
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7AXE
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![BU of 7axe by Molmil](/molmil-images/mine/7axe) | Crystal structure of the hPXR-LBD in complex with oxadiazon | 分子名称: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | 著者 | Harrus, D, Delfosse, V, Bourguet, W. | 登録日 | 2020-11-09 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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5MWP
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![BU of 5mwp by Molmil](/molmil-images/mine/5mwp) | The structure of MR in complex with AZD9977. | 分子名称: | 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide | 著者 | Edman, K, Aagaard, A, Backstrom, S. | 登録日 | 2017-01-19 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS ONE, 13, 2018
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5MWY
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5MK4
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![BU of 5mk4 by Molmil](/molmil-images/mine/5mk4) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 and a fragment of the TIF2 co-activator. | 分子名称: | (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, CHLORIDE ION, Nuclear receptor coactivator 2, ... | 著者 | Andrei, S.A, Scheepstra, M, Brunsveld, L, Ottmann, C. | 登録日 | 2016-12-02 | 公開日 | 2017-11-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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7AXD
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7AXL
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![BU of 7axl by Molmil](/molmil-images/mine/7axl) | Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2, ... | 著者 | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | 登録日 | 2020-11-09 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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5LGA
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![BU of 5lga by Molmil](/molmil-images/mine/5lga) | Structural analysis and biological activities of BXL0124, a Gemini analog of Vitamin D | 分子名称: | (1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC-2, Vitamin D3 receptor A | 著者 | Belorusova, A.Y, Rochel, N. | 登録日 | 2016-07-06 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural analysis and biological activities of BXL0124, a gemini analog of vitamin D. J. Steroid Biochem. Mol. Biol., 173, 2017
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7AXK
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![BU of 7axk by Molmil](/molmil-images/mine/7axk) | Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, GLYCEROL, ... | 著者 | Huet, T, Delfosse, V, Bourguet, W. | 登録日 | 2020-11-09 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7B88
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![BU of 7b88 by Molmil](/molmil-images/mine/7b88) | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor | 分子名称: | 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-12 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics. J.Med.Chem., 64, 2021
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7AXI
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![BU of 7axi by Molmil](/molmil-images/mine/7axi) | Crystal structure of the hPXR-LBD in complex with estradiol and cis-chlordane | 分子名称: | (+)cis-chlordane, (-)cis-chlordane, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | 著者 | Huet, T, Delfosse, V, Bourguet, W. | 登録日 | 2020-11-09 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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5MX7
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![BU of 5mx7 by Molmil](/molmil-images/mine/5mx7) | 1a,20S-dihydroxyvitamin D3 VDR complex | 分子名称: | 1a,20S-dihydroxyvitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N, Belorusova, A.Y. | 登録日 | 2017-01-21 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | 1 alpha,20S-Dihydroxyvitamin D3 Interacts with Vitamin D Receptor: Crystal Structure and Route of Chemical Synthesis. Sci Rep, 7, 2017
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7AWD
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![BU of 7awd by Molmil](/molmil-images/mine/7awd) | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with garcinoic acid | 分子名称: | (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid, CITRIC ACID, GLYCEROL, ... | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-06 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Endogenous vitamin E metabolites mediate allosteric PPAR gamma activation with unprecedented co-regulatory interactions. Cell Chem Biol, 28, 2021
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7AXA
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![BU of 7axa by Molmil](/molmil-images/mine/7axa) | Crystal structure of the hPXR-LBD in complex with clotrimazole | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Nuclear receptor subfamily 1 group I member 2 | 著者 | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | 登録日 | 2020-11-09 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXF
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4DOS
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![BU of 4dos by Molmil](/molmil-images/mine/4dos) | Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 | 分子名称: | DIUNDECYL PHOSPHATIDYL CHOLINE, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2, ... | 著者 | Musille, P.M, Ortlund, E.A. | 登録日 | 2012-02-10 | 公開日 | 2012-04-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation. Nat.Struct.Mol.Biol., 19, 2012
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4EM9
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![BU of 4em9 by Molmil](/molmil-images/mine/4em9) | Human PPAR gamma in complex with nonanoic acids | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | 著者 | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | 登録日 | 2012-04-11 | 公開日 | 2013-03-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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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4HLW
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![BU of 4hlw by Molmil](/molmil-images/mine/4hlw) | Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives. | 分子名称: | 2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole, Androgen receptor, GLYCEROL, ... | 著者 | Ravi, S.N.M, Leblanc, E, Axerio-Cilies, P, Labriere, C, Frewin, K, Hassona, M.D.H, Lack, N.A, Han, F.Q, Guns, E.S, Young, R, Ban, F, Rennie, P.S, Cherkasov, A. | 登録日 | 2012-10-17 | 公開日 | 2013-01-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Targeting the Binding Function 3 (BF3) Site of the Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole Derivatives. J.Med.Chem., 56, 2013
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4G1D
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![BU of 4g1d by Molmil](/molmil-images/mine/4g1d) | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | 分子名称: | 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | 登録日 | 2012-07-10 | 公開日 | 2012-09-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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4G1Y
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![BU of 4g1y by Molmil](/molmil-images/mine/4g1y) | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | 分子名称: | (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | 登録日 | 2012-07-11 | 公開日 | 2012-09-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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4IA2
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![BU of 4ia2 by Molmil](/molmil-images/mine/4ia2) | Diastereotopic and Deuterium Effects in Gemini | 分子名称: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | 著者 | Maehr, H, Rochel, N, Suh, N, Uskokovic, M. | 登録日 | 2012-12-06 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Diastereotopic and deuterium effects in gemini. J.Med.Chem., 56, 2013
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4IA3
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![BU of 4ia3 by Molmil](/molmil-images/mine/4ia3) | Diastereotopic and Deuterium Effects in Gemini | 分子名称: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | 著者 | Maehr, H, Rochel, N, Suh, N, Uskokovic, M. | 登録日 | 2012-12-06 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Diastereotopic and deuterium effects in gemini. J.Med.Chem., 56, 2013
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4IA7
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![BU of 4ia7 by Molmil](/molmil-images/mine/4ia7) | Diastereotopic and Deuterium Effects in Gemini | 分子名称: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | 著者 | Maehr, H, Rochel, N, Suh, N, Uskokovic, M. | 登録日 | 2012-12-06 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Diastereotopic and deuterium effects in gemini. J.Med.Chem., 56, 2013
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8AQM
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![BU of 8aqm by Molmil](/molmil-images/mine/8aqm) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) | 分子名称: | 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | 著者 | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | 登録日 | 2022-08-12 | 公開日 | 2022-11-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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8AQN
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![BU of 8aqn by Molmil](/molmil-images/mine/8aqn) | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | 分子名称: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | 著者 | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | 登録日 | 2022-08-12 | 公開日 | 2022-11-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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