7SVL
 
 | | DPP9 IN COMPLEX WITH LIGAND ICeD-2 | | 分子名称: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | | 登録日 | 2021-11-19 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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8SL3
 | | Human adenylyl Cyclase 5 in complex with Gbg | | 分子名称: | Adenylate cyclase type 5, GERAN-8-YL GERAN, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Yen, Y.C, Tesmer, J.J.G. | | 登録日 | 2023-04-20 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (7 Å) | | 主引用文献 | Structure of adenylyl cyclase 5 in complex with G beta gamma offers insights into ADCY5-related dyskinesia.
Nat.Struct.Mol.Biol., 2024
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7DAC
 | | Human RIPK3 amyloid fibril revealed by solid-state NMR | | 分子名称: | Receptor-interacting serine/threonine-protein kinase 3 | | 著者 | Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X. | | 登録日 | 2020-10-16 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7DA4
 | | Cryo-EM structure of amyloid fibril formed by human RIPK3 | | 分子名称: | Receptor-interacting serine/threonine-protein kinase 3 | | 著者 | Zhao, K, Ma, Y.Y, Sun, Y.P, Li, D, Liu, C. | | 登録日 | 2020-10-14 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.24 Å) | | 主引用文献 | The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
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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 | | 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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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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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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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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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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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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6UWU
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516 | | 分子名称: | 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4 | | 著者 | Leonard, P.G, Joseph, S. | | 登録日 | 2019-11-05 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
J.Med.Chem., 63, 2020
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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 | | 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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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
 | | 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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8IPY
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8IDY
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8IPD
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8INF
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8IDT
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8IR1
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8XZD
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6SZ1
 | | Crystal structure of YTHDC1 with fragment 2 (DHU_DC1_140) | | 分子名称: | SULFATE ION, YTH domain-containing protein 1, ~{N}-methylquinazolin-4-amine | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-01 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6T05
 | | Crystal structure of YTHDC1 with fragment 18 (DHU_DC1_048) | | 分子名称: | 2-(phenylmethyl)imidazolidine, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6T0D
 | | Crystal structure of YTHDC1 with fragment 27 (DHU_DC1_256) | | 分子名称: | SULFATE ION, YTHDC1, ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6T10
 | | Crystal structure of YTHDC1 with fragment 28 (DHU_DC1_176) | | 分子名称: | 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-03 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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