9FBF
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![BU of 9fbf by Molmil](/molmil-images/mine/9fbf) | VDR complex with UG-481 | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2024-05-13 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain. J.Med.Chem., 67, 2024
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9EZ2
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![BU of 9ez2 by Molmil](/molmil-images/mine/9ez2) | Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 | 分子名称: | 1,4b,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | 著者 | Rochel, N. | 登録日 | 2024-04-10 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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9EZ1
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![BU of 9ez1 by Molmil](/molmil-images/mine/9ez1) | Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3 | 分子名称: | 1,4a,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | 著者 | Rochel, N. | 登録日 | 2024-04-10 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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9EYR
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![BU of 9eyr by Molmil](/molmil-images/mine/9eyr) | VDR complex with gemini analog UG-480 | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2024-04-09 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain. J.Med.Chem., 67, 2024
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8X8V
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![BU of 8x8v by Molmil](/molmil-images/mine/8x8v) | Crystal structure of Cypovirus Polyhedra mutant fused with c-Myc fragment | 分子名称: | Polyhedrin,Myc proto-oncogene protein | 著者 | Kojima, M, Ueno, T, Abe, S, Hirata, K. | 登録日 | 2023-11-29 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | High-throughput structure determination of an intrinsically disordered protein using cell-free protein crystallization. Proc.Natl.Acad.Sci.USA, 121, 2024
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8X8S
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![BU of 8x8s by Molmil](/molmil-images/mine/8x8s) | Crystal structure of Cypovirus Polyhedra mutant fused with c-Myc fragment | 分子名称: | Polyhedrin,Myc proto-oncogene protein | 著者 | Kojima, M, Ueno, T, Abe, S, Hirata, K. | 登録日 | 2023-11-28 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | High-throughput structure determination of an intrinsically disordered protein using cell-free protein crystallization. Proc.Natl.Acad.Sci.USA, 121, 2024
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8WLG
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![BU of 8wlg by Molmil](/molmil-images/mine/8wlg) | Crystal structure of Cypovirus Polyhedra mutant fused with c-Myc fragment | 分子名称: | Polyhedrin,Myc proto-oncogene protein | 著者 | Kojima, M, Ueno, T, Abe, S, Hirata, K. | 登録日 | 2023-09-29 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | High-throughput structure determination of an intrinsically disordered protein using cell-free protein crystallization. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VKZ
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![BU of 8vkz by Molmil](/molmil-images/mine/8vkz) | Crystal structure of Glucocorticoid Receptor in complex with an inhibitor | 分子名称: | (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2 | 著者 | Judge, R.A, Hobson, A.D. | 登録日 | 2024-01-10 | 公開日 | 2024-01-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.133 Å) | 主引用文献 | Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties. Rsc Med Chem, 15, 2024
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8T2I
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![BU of 8t2i by Molmil](/molmil-images/mine/8t2i) | Negative stain EM assembly of MYC, JAZ, and NINJA complex | 分子名称: | AFP homolog 2, Maltose/maltodextrin-binding periplasmic protein, Protein TIFY 10A, ... | 著者 | Zhou, X.E, Zhang, Y, Zhou, Y, He, Q, Cao, X, Kariapper, L, Suino-Powell, K, Zhu, Y, Zhang, F, Karsten, M. | 登録日 | 2023-06-06 | 公開日 | 2023-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | ELECTRON MICROSCOPY (10.4 Å) | 主引用文献 | Assembly of JAZ-JAZ and JAZ-NINJA complexes in jasmonate signaling. Plant Commun., 4, 2023
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8SVX
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![BU of 8svx by Molmil](/molmil-images/mine/8svx) | Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331 | 分子名称: | DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ... | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVU
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![BU of 8svu by Molmil](/molmil-images/mine/8svu) | Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form | 分子名称: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVT
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![BU of 8svt by Molmil](/molmil-images/mine/8svt) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331 | 分子名称: | DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ... | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVS
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![BU of 8svs by Molmil](/molmil-images/mine/8svs) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVR
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![BU of 8svr by Molmil](/molmil-images/mine/8svr) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVQ
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![BU of 8svq by Molmil](/molmil-images/mine/8svq) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVP
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![BU of 8svp by Molmil](/molmil-images/mine/8svp) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-278 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVO
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![BU of 8svo by Molmil](/molmil-images/mine/8svo) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVN
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![BU of 8svn by Molmil](/molmil-images/mine/8svn) | Crystal structure of the apo form of pregnane X receptor ligand binding domain | 分子名称: | Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8QMO
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![BU of 8qmo by Molmil](/molmil-images/mine/8qmo) | Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | 著者 | Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J. | 登録日 | 2023-09-24 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | 主引用文献 | Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds. J.Mol.Biol., 436, 2024
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8PZB
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![BU of 8pzb by Molmil](/molmil-images/mine/8pzb) | crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 49 | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2023-07-27 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
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8PZ9
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![BU of 8pz9 by Molmil](/molmil-images/mine/8pz9) | Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55 | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2023-07-27 | 公開日 | 2023-08-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
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8PZ8
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![BU of 8pz8 by Molmil](/molmil-images/mine/8pz8) | crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 54 | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2023-07-27 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
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8PZ7
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![BU of 8pz7 by Molmil](/molmil-images/mine/8pz7) | crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57 | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2023-07-27 | 公開日 | 2023-08-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
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8PZ6
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![BU of 8pz6 by Molmil](/molmil-images/mine/8pz6) | crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 analog 56 | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2023-07-27 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
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8PP0
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![BU of 8pp0 by Molmil](/molmil-images/mine/8pp0) | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147 | 分子名称: | 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-07-05 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties. J.Med.Chem., 67, 2024
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