5H1E
 
 | | Interaction between vitamin D receptor and coactivator peptide SRC2-3 | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor | | 著者 | Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K. | | 登録日 | 2016-10-08 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity
Bioorg. Med. Chem., 25, 2017
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5AZV
 | | Crystal structure of hPPARgamma ligand binding domain complexed with 17-oxoDHA | | 分子名称: | (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Egawa, D, Itoh, T, Yamamoto, K. | | 登録日 | 2015-10-23 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 17-OxoDHA Is a PPAR alpha/gamma Dual Covalent Modifier and Agonist
Acs Chem.Biol., 2016
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5AZT
 | | Ternary complex of hPPARalpha ligand binding domain, 17-oxoDHA and a SRC1 peptide | | 分子名称: | (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid, 15-meric peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | | 著者 | Egawa, D, Itoh, T, Yamamoto, K. | | 登録日 | 2015-10-23 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | 17-OxoDHA Is a PPAR alpha/gamma Dual Covalent Modifier and Agonist
Acs Chem.Biol., 2016
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7E2O
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3X1H
 | | hPPARgamma Ligand binding domain in complex with 5-oxo-tricosahexaenoic acid | | 分子名称: | (7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Egawa, D, Itoh, T, Yamamoto, K. | | 登録日 | 2014-11-18 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids.
Bioconjug.Chem., 26, 2015
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3X1I
 | | hPPARgamma Ligand binding domain in complex with 6-oxo-tetracosahexaenoic acid | | 分子名称: | (8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Egawa, D, Itoh, T, Yamamoto, K. | | 登録日 | 2014-11-18 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids.
Bioconjug.Chem., 26, 2015
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6J81
 | | Crystal structure of CERT START domain in complex with compound E14 | | 分子名称: | 2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2019-01-18 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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6J0O
 | | Crystal structure of CERT START domain in complex with compound SC1 | | 分子名称: | 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT, UNKNOWN ATOM OR ION | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-12-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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6IF0
 | | Crystal structure of CERT START domain in complex with compound D16 | | 分子名称: | 2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-09-18 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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6IEZ
 | | Crystal structure of CERT START domain in complex with compound B16 | | 分子名称: | 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-09-18 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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5ZYL
 | | Crystal structure of CERT START domain in complex with compound E25A | | 分子名称: | 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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5ZYI
 | | Crystal structure of CERT START domain in complex with compound E16 | | 分子名称: | 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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5ZYJ
 | | Crystal structure of CERT START domain in complex with compound E16A | | 分子名称: | 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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5ZYH
 | | Crystal structure of CERT START domain in complex with compound E5 | | 分子名称: | 2-[4-[3-~{tert}-butyl-5-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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5ZYK
 | | Crystal structure of CERT START domain in complex with compound E25 | | 分子名称: | 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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5ZYG
 | | Crystal structure of CERT START domain in complex with compound B5 | | 分子名称: | 2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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5ZYM
 | | Crystal structure of CERT START domain in complex with compound E25B | | 分子名称: | 2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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5B5B
 | | Crystal structure of VDR-LBD complexed with 2-methylidene-26,27-diphenyl-19-nor-1,25-dihydroxyvitamin D3 | | 分子名称: | (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Kato, A, Itoh, T, Yamamoto, K. | | 登録日 | 2016-05-02 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Helix12-Stabilization Antagonist of Vitamin D Receptor
Bioconjug.Chem., 27, 2016
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5B41
 | | Crystal structure of VDR-LBD complexed with 2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 | | 分子名称: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Anami, Y, Itoh, T, Yamamoto, K. | | 登録日 | 2016-03-23 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Apo- and Antagonist-Binding Structures of Vitamin D Receptor Ligand-Binding Domain Revealed by Hybrid Approach Combining Small-Angle X-ray Scattering and Molecular Dynamics
J.Med.Chem., 59, 2016
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8HHQ
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8HHP
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3WT5
 | | A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: Active vitamin D analogues with 22R-alkyl group | | 分子名称: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Anami, Y, Itoh, T, Yamamoto, K. | | 登録日 | 2014-04-08 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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3WT7
 | | Crystal structure of VDR-LBD complexed with 22R-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1 ,25-dihydroxyvitamin D3 | | 分子名称: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Anami, Y, Itoh, T, Yamamoto, K. | | 登録日 | 2014-04-08 | | 公開日 | 2014-06-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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3WT6
 | | A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: Active vitamin D analogues with 22R-alkyl group | | 分子名称: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Anami, Y, Itoh, T, Yamamoto, K. | | 登録日 | 2014-04-08 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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2DQL
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