3GYT
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![BU of 3gyt by Molmil](/molmil-images/mine/3gyt) | Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4 | 分子名称: | (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1 | 著者 | Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J. | 登録日 | 2009-04-05 | 公開日 | 2009-07-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes. Proc.Natl.Acad.Sci.USA, 106, 2009
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6MS7
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![BU of 6ms7 by Molmil](/molmil-images/mine/6ms7) | 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
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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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4P6W
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![BU of 4p6w by Molmil](/molmil-images/mine/4p6w) | 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
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4P6X
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![BU of 4p6x by Molmil](/molmil-images/mine/4p6x) | 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
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8DK4
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![BU of 8dk4 by Molmil](/molmil-images/mine/8dk4) | 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
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7S3F
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![BU of 7s3f by Molmil](/molmil-images/mine/7s3f) | Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with its inhibitor 1-amino-oxy-3-aminopropane | 分子名称: | 3-AMINOOXY-1-AMINOPROPANE, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K. | 登録日 | 2021-09-06 | 公開日 | 2021-12-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane. Biochem.J., 478, 2021
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7S3G
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![BU of 7s3g by Molmil](/molmil-images/mine/7s3g) | Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with citrate at the catalytic center | 分子名称: | CITRIC ACID, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K. | 登録日 | 2021-09-06 | 公開日 | 2021-12-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane. Biochem.J., 478, 2021
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | 分子名称: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | 著者 | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | 登録日 | 2011-05-03 | 公開日 | 2013-05-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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3PTG
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![BU of 3ptg by Molmil](/molmil-images/mine/3ptg) | Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor | 分子名称: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | 著者 | Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. | 登録日 | 2010-12-02 | 公開日 | 2011-03-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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3GYU
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![BU of 3gyu by Molmil](/molmil-images/mine/3gyu) | Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 7 | 分子名称: | (5beta,14beta,17alpha,25R)-3-oxocholest-7-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1 | 著者 | Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J. | 登録日 | 2009-04-05 | 公開日 | 2009-07-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes. Proc.Natl.Acad.Sci.USA, 106, 2009
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5TWO
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![BU of 5two by Molmil](/molmil-images/mine/5two) | 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
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7JIJ
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![BU of 7jij by Molmil](/molmil-images/mine/7jij) | ATP-bound AMP-activated protein kinase | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | 著者 | Yan, Y, Zhou, X.E, Powell, K, Xu, T, Brunzelle, J.S, Xu, H.X, Melcher, K. | 登録日 | 2020-07-23 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (5.5 Å) | 主引用文献 | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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7M74
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![BU of 7m74 by Molmil](/molmil-images/mine/7m74) | ATP-bound AMP-activated protein kinase | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | 著者 | Yan, Y, Mukherjee, S, Harikumar, K.G, Strutzenberg, T, Zhou, X.E, Powell, S.K, Xu, T, Sheldon, R, Lamp, J, Brunzelle, J.S, Radziwon, K, Ellis, A, Novick, S.J, Vega, I.E, Jones, R, Miller, L.J, Xu, H.E, Griffin, P.R, Kossiakoff, A.A, Melcher, K. | 登録日 | 2021-03-26 | 公開日 | 2021-12-15 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.93 Å) | 主引用文献 | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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7U6P
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![BU of 7u6p by Molmil](/molmil-images/mine/7u6p) | Structure of an intellectual disability-associated ornithine decarboxylase variant G84R | 分子名称: | Ornithine decarboxylase, PHOSPHATE ION | 著者 | Zhou, X.E, Schultz, C.R, Powell, K.S, Henrickson, A, Lamp, J, Brunzelle, J.S, Demeler, B, Vega, I.E, Bachmann, A.S, Melcher, K. | 登録日 | 2022-03-04 | 公開日 | 2022-10-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure and Enzymatic Activity of an Intellectual Disability-Associated Ornithine Decarboxylase Variant, G84R. Acs Omega, 7, 2022
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7U6U
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![BU of 7u6u by Molmil](/molmil-images/mine/7u6u) | Structure of an intellectual disability-associated ornithine decarboxylase variant G84R in complex with PLP | 分子名称: | Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Zhou, X.E, Schultz, C.R, Powell, K.S, Henrickson, A, Lamp, J, Brunzelle, J.S, Demeler, B, Vega, I.E, Bachmann, A.S, Melcher, K. | 登録日 | 2022-03-06 | 公開日 | 2022-10-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure and Enzymatic Activity of an Intellectual Disability-Associated Ornithine Decarboxylase Variant, G84R. Acs Omega, 7, 2022
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6BD4
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![BU of 6bd4 by Molmil](/molmil-images/mine/6bd4) | Crystal structure of human apo-Frizzled4 receptor | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Frizzled-4/Rubredoxin chimeric protein, OLEIC ACID, ... | 著者 | Yang, S, Wu, Y, Pu, M, Chen, Y, Dong, S, Guo, Y, Han, G.Y, Stevens, R.C, Zhao, S, Xu, F. | 登録日 | 2017-10-21 | 公開日 | 2018-08-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of the Frizzled 4 receptor in a ligand-free state. Nature, 560, 2018
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3OY1
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![BU of 3oy1 by Molmil](/molmil-images/mine/3oy1) | Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties | 分子名称: | 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10 | 著者 | Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N. | 登録日 | 2010-09-22 | 公開日 | 2011-08-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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3OXI
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![BU of 3oxi by Molmil](/molmil-images/mine/3oxi) | Design and Synthesis of Disubstituted Thiophene and Thiazole Based Inhibitors of JNK for the Treatment of Neurodegenerative Diseases | 分子名称: | Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8 interacting protein 1, methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate | 著者 | Hom, R.K, Bowers, S, Sealy, J, Truong, A, Probst, G.D, Neitzel, M, Neitz, J, Fang, L, Brogley, L, Wu, J, Konradi, A.W, Sham, H, Toth, G, Pan, H, Yao, N, Artis, D.R. | 登録日 | 2010-09-21 | 公開日 | 2011-05-04 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg.Med.Chem.Lett., 20, 2010
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3EHT
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![BU of 3eht by Molmil](/molmil-images/mine/3eht) | |
3EHS
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![BU of 3ehs by Molmil](/molmil-images/mine/3ehs) | |
3CS8
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![BU of 3cs8 by Molmil](/molmil-images/mine/3cs8) | |
3CJW
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3EHU
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![BU of 3ehu by Molmil](/molmil-images/mine/3ehu) | |
3CWD
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![BU of 3cwd by Molmil](/molmil-images/mine/3cwd) | Molecular recognition of nitro-fatty acids by PPAR gamma | 分子名称: | (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid, (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid, Peroxisome proliferator-activated receptor gamma, ... | 著者 | Martynowski, D, Li, Y. | 登録日 | 2008-04-21 | 公開日 | 2008-07-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Molecular recognition of nitrated fatty acids by PPAR gamma. Nat.Struct.Mol.Biol., 15, 2008
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