8F5Y
| Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 | 分子名称: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | 登録日 | 2022-11-15 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR. Nucleic Acids Res., 52, 2024
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8E3N
| Crystal structure of pregnane X receptor ligand binding domain complexed with rifamycin S | 分子名称: | Nuclear receptor subfamily 1 group I member 2, Rifamycin S | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Chen, T. | 登録日 | 2022-08-17 | 公開日 | 2023-03-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EQZ
| Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6 | 分子名称: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | 登録日 | 2022-10-11 | 公開日 | 2023-03-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FPE
| Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP | 分子名称: | N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | 登録日 | 2023-01-04 | 公開日 | 2023-03-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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8SZV
| Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318 | 分子名称: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | 著者 | Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T. | 登録日 | 2023-05-30 | 公開日 | 2023-10-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Ligand flexibility and binding pocket malleability cooperate to allow selective PXR activation by analogs of a promiscuous nuclear receptor ligand. Structure, 31, 2023
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1CFB
| CRYSTAL STRUCTURE OF TANDEM TYPE III FIBRONECTIN DOMAINS FROM DROSOPHILA NEUROGLIAN AT 2.0 ANGSTROMS | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DROSOPHILA NEUROGLIAN, ... | 著者 | Huber, A.H, Wang, Y.E, Bieber, A.J, Bjorkman, P.J. | 登録日 | 1994-08-27 | 公開日 | 1994-11-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of tandem type III fibronectin domains from Drosophila neuroglian at 2.0 A. Neuron, 12, 1994
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1I7W
| BETA-CATENIN/PHOSPHORYLATED E-CADHERIN COMPLEX | 分子名称: | BETA-CATENIN, CHLORIDE ION, EPITHELIAL-CADHERIN, ... | 著者 | Huber, A.H, Weis, W.I. | 登録日 | 2001-03-10 | 公開日 | 2001-05-09 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The structure of the beta-catenin/E-cadherin complex and the molecular basis of diverse ligand recognition by beta-catenin. Cell(Cambridge,Mass.), 105, 2001
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1I7X
| BETA-CATENIN/E-CADHERIN COMPLEX | 分子名称: | BETA-CATENIN, EPITHELIAL-CADHERIN | 著者 | Huber, A.H, Weis, W.I. | 登録日 | 2001-03-10 | 公開日 | 2001-05-16 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The structure of the beta-catenin/E-cadherin complex and the molecular basis of diverse ligand recognition by beta-catenin. Cell(Cambridge,Mass.), 105, 2001
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3BCT
| THE ARMADILLO REPEAT REGION FROM MURINE BETA-CATENIN | 分子名称: | BETA-CATENIN, CHLORIDE ION, UREA | 著者 | Huber, A.H, Nelson, W.J, Weis, W.I. | 登録日 | 1997-07-31 | 公開日 | 1997-11-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Three-dimensional structure of the armadillo repeat region of beta-catenin. Cell(Cambridge,Mass.), 90, 1997
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2BCT
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7BAF
| Crystal structure of PAFB in complex with zinc | 分子名称: | ACETATE ION, Antifungal protein, ZINC ION | 著者 | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | 登録日 | 2020-12-15 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.123 Å) | 主引用文献 | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
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7BAE
| Crystal structure of PAFB | 分子名称: | Antifungal protein | 著者 | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | 登録日 | 2020-12-15 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
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7BAD
| Crystal structure of PAFB in complex with p-sulfonato-calix[8]arene and zinc | 分子名称: | Antifungal protein, PHOSPHATE ION, ZINC ION, ... | 著者 | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | 登録日 | 2020-12-15 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
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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 | 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, 2024
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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 | 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, 2024
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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 | 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, 2024
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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 | 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, 2024
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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 | 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, 2024
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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 | 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, 2024
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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 | 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, 2024
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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 | 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, 2024
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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 | 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, 2024
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