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5TWO
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BU of 5two by Molmil
Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selectively PPAR gamma-modulating ligand VSP-51
分子名称: N-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-5-carboxamide, PRO-SER-LEU-LEU-LYS-LYS-LEU-LEU-LEU-ALA-PRO, Peroxisome proliferator-activated receptor gamma
著者Yi, W, Shi, J, Zhao, G, Zhou, X.E, Suino-Powell, K, Melcher, K, Xu, H.E.
登録日2016-11-14
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.927 Å)
主引用文献Identification of a novel selective PPAR gamma ligand with a unique binding mode and improved therapeutic profile in vitro.
Sci Rep, 7, 2017
6MS7
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BU of 6ms7 by Molmil
Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77
分子名称: PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid
著者Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E.
登録日2018-10-16
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
3LU1
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BU of 3lu1 by Molmil
Crystal Structure Analysis of WbgU: a UDP-GalNAc 4-epimerase
分子名称: GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
著者Bhatt, V.S, Guo, C.Y, Zhao, G, Yi, W, Liu, Z.J, Wang, P.G.
登録日2010-02-16
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Altered architecture of substrate binding region defines the unique specificity of UDP-GalNAc 4-epimerases.
Protein Sci., 20, 2011
7LJC
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BU of 7ljc by Molmil
Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein
分子名称: (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ...
著者Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E.
登録日2021-01-28
公開日2021-03-03
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
7LJD
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BU of 7ljd by Molmil
Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein
分子名称: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E.
登録日2021-01-28
公開日2021-03-03
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
4IH1
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BU of 4ih1 by Molmil
Crystal structure of Karrikin Insensitive 2 (KAI2) from Arabidopsis thaliana
分子名称: Hydrolase, alpha/beta fold family protein
著者Zhou, X.E, Zhao, L.-H, Wu, Z.-S, Yi, W, Li, S, Li, Y, Xu, Y, Xu, T.-H, Liu, Y, Chen, R.-Z, Kovach, A, Kang, Y, Hou, L, He, Y, Zhang, C, Melcher, K, Xu, H.E.
登録日2012-12-18
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of two phytohormone signal-transducing alpha / beta hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14.
Cell Res., 23, 2013
4IH9
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BU of 4ih9 by Molmil
Crystal structure of rice DWARF14 (D14)
分子名称: Dwarf 88 esterase
著者Zhou, X.E, Zhao, L.-H, Wu, Z.-S, Yi, W, Li, S, Li, Y, Xu, Y, Xu, T.-H, Liu, Y, Chen, R.-Z, Kovach, A, Kang, Y, Hou, L, He, Y, Zhang, C, Melcher, K, Xu, H.E.
登録日2012-12-18
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of two phytohormone signal-transducing alpha / beta hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14.
Cell Res., 23, 2013
4IHA
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BU of 4iha by Molmil
Crystal structure of rice DWARF14 (D14) in complex with a GR24 hydrolysis intermediate
分子名称: (2R,3R)-2,4,4-trihydroxy-3-methylbutanal, Dwarf 88 esterase
著者Zhou, X.E, Zhao, L.-H, Wu, Z.-S, Yi, W, Li, S, Li, Y, Xu, Y, Xu, T.-H, Liu, Y, Chen, R.-Z, Kovach, A, Kang, Y, Hou, L, He, Y, Zhang, C, Melcher, K, Xu, H.E.
登録日2012-12-18
公開日2013-01-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of two phytohormone signal-transducing alpha / beta hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14.
Cell Res., 23, 2013
4IH4
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BU of 4ih4 by Molmil
Crystal structure of Arabidopsis DWARF14 orthologue, AtD14
分子名称: AT3g03990/T11I18_10
著者Zhou, X.E, Zhao, L.-H, Wu, Z.-S, Yi, W, Li, S, Li, Y, Xu, Y, Xu, T.-H, Liu, Y, Chen, R.-Z, Kovach, A, Kang, Y, Hou, L, He, Y, Zhang, C, Melcher, K, Xu, H.E.
登録日2012-12-18
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structures of two phytohormone signal-transducing alpha / beta hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14.
Cell Res., 23, 2013
5DJ5
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BU of 5dj5 by Molmil
Crystal structure of rice DWARF14 in complex with synthetic strigolactone GR24
分子名称: (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one, Probable strigolactone esterase D14
著者Zhou, X.E, Zhao, L.-H, Yi, W, Wu, Z.-S, Liu, Y, Kang, Y, Hou, L, de Waal, P.W, Li, S, Jiang, Y, Melcher, K, Xu, H.E.
登録日2015-09-01
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Destabilization of strigolactone receptor DWARF14 by binding of ligand and E3-ligase signaling effector DWARF3.
Cell Res., 25, 2015
4LRH
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BU of 4lrh by Molmil
Crystal structure of human folate receptor alpha in complex with folic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, Folate receptor alpha
著者Ke, J, Chen, C, Zhou, X.E, Yi, W, Brunzelle, J.S, Li, J, Young, E.-L, Xu, H.E, Melcher, K.
登録日2013-07-19
公開日2013-07-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for molecular recognition of folic acid by folate receptors.
Nature, 500, 2013
8DK4
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BU of 8dk4 by Molmil
Peroxisome proliferator-activated receptor gamma in complex with VSP-51-2
分子名称: 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Ma, L, Zhou, X.E, Suino-Powell, K, Hou, N, Zhou, Z, Luo, J, Xu, H.E, Yi, W.
登録日2022-07-02
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of VSP-51-2 as the Novel and Safe PPAR gamma Modulator: Structure-Based Design, Biological Validation and Crystal Analysis
To Be Published
4P6X
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BU of 4p6x by Molmil
Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Glucocorticoid receptor, Nuclear receptor coactivator 2
著者He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
登録日2014-03-25
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
4P6W
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BU of 4p6w by Molmil
Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain
分子名称: Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2
著者He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
登録日2014-03-25
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
5EJN
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BU of 5ejn by Molmil
Crystal structure of Juno, the mammalian egg receptor for sperm Izumo1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sperm-egg fusion protein Juno
著者Nishimura, K, Han, L, Jovine, L.
登録日2015-11-02
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Divergent evolution of vitamin B9 binding underlies Juno-mediated adhesion of mammalian gametes.
Curr.Biol., 26, 2016

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