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5KF4
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BU of 5kf4 by Molmil
Crystal structure of FN3 domain (Residues P368-P466) of Human collagen XX
分子名称: Collagen alpha-1(XX) chain
著者Xie, Y, Cheng, Z, Zhao, J.
登録日2016-06-12
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the second fibronectin type III (FN3) domain from human collagen alpha 1 type XX
Acta Crystallogr F Struct Biol Commun, 73, 2017
6A5Q
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BU of 6a5q by Molmil
Structure of 14-3-3 beta in complex with TFEB 14-3-3 binding motif
分子名称: 14-3-3 protein beta/alpha, MALONIC ACID, TFEB pS211-peptide
著者Xu, Y, Ren, J.Q, Feng, W.
登録日2018-06-25
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献YWHA/14-3-3 proteins recognize phosphorylated TFEB by a noncanonical mode for controlling TFEB cytoplasmic localization.
Autophagy, 15, 2019
6A5S
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BU of 6a5s by Molmil
Structure of 14-3-3 gamma in complex with TFEB 14-3-3 binding motif
分子名称: 14-3-3 protein gamma, MAGNESIUM ION, SODIUM ION, ...
著者Xu, Y, Ren, J.Q, Feng, W.
登録日2018-06-25
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献YWHA/14-3-3 proteins recognize phosphorylated TFEB by a noncanonical mode for controlling TFEB cytoplasmic localization.
Autophagy, 15, 2019
6TR7
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BU of 6tr7 by Molmil
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide-Notum complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2019-12-17
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
6TR6
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BU of 6tr6 by Molmil
N-acetylserotonin-Notum complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2019-12-17
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
6TR5
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BU of 6tr5 by Molmil
Melatonin-Notum complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ...
著者Zhao, Y, Jones, E.Y.
登録日2019-12-17
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.509 Å)
主引用文献Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
3JB4
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BU of 3jb4 by Molmil
Structure of Ljungan virus: insight into picornavirus packaging
分子名称: VP0, VP1, VP3
著者Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I.
登録日2015-07-21
公開日2015-10-21
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of Ljungan virus provides insight into genome packaging of this picornavirus.
Nat Commun, 6, 2015
1A4V
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BU of 1a4v by Molmil
ALPHA-LACTALBUMIN
分子名称: ALPHA-LACTALBUMIN, CALCIUM ION
著者Chandra, N, Acharya, K.R.
登録日1998-02-05
公開日1999-04-27
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural evidence for the presence of a secondary calcium binding site in human alpha-lactalbumin.
Biochemistry, 37, 1998
4LWH
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BU of 4lwh by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
分子名称: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWG
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BU of 4lwg by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4
分子名称: 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, Heat shock protein HSP 90-alpha
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWE
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BU of 4lwe by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2
分子名称: Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWF
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BU of 4lwf by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3
分子名称: 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWI
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BU of 4lwi by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6
分子名称: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
5GKA
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BU of 5gka by Molmil
cryo-EM structure of human Aichi virus
分子名称: Genome polyprotein, capsid protein VP0, capsid protein VP1
著者Zhu, L, Wang, X.X, Ren, J.S, Tuthill, T.J, Fry, E.E, Rao, Z.H, Stuart, D.I.
登録日2016-07-04
公開日2016-09-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of human Aichi virus and implications for receptor binding
Nat Microbiol, 1, 2016
6TFM
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BU of 6tfm by Molmil
Frizzled8 CRD
分子名称: Frizzled-8
著者Zhao, Y, Jones, E.Y.
登録日2019-11-14
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.
J.Med.Chem., 63, 2020
6TFB
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BU of 6tfb by Molmil
Carbamazepine binds Frizzled8
分子名称: Frizzled-8, GLYCEROL, benzo[b][1]benzazepine-11-carboxamide
著者Zhao, Y, Jones, E.Y.
登録日2019-11-13
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.
J.Med.Chem., 63, 2020
6TV4
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BU of 6tv4 by Molmil
CFF-Notum complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CAFFEINE, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-01-08
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Caffeine inhibits Notum activity by binding at the catalytic pocket.
Commun Biol, 3, 2020
6TUZ
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BU of 6tuz by Molmil
Theophylline-Notum complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-01-08
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Caffeine inhibits Notum activity by binding at the catalytic pocket.
Commun Biol, 3, 2020
6KMH
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BU of 6kmh by Molmil
The crystal structure of CASK/Mint1 complex
分子名称: Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ...
著者Li, W, Feng, W.
登録日2019-07-31
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
6J72
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BU of 6j72 by Molmil
Crystal structure of IniA from Mycobacterium smegmatis with GTP bound
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Isoniazid inducible gene protein IniA, L(+)-TARTARIC ACID, ...
著者Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
登録日2019-01-16
公開日2019-09-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
6J73
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BU of 6j73 by Molmil
Crystal structure of IniA from Mycobacterium smegmatis
分子名称: Isoniazid inducible gene protein IniA
著者Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
登録日2019-01-16
公開日2019-09-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.211 Å)
主引用文献Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
6CN8
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BU of 6cn8 by Molmil
High-resolution structure of ClpC1-NTD binding to Rufomycin-I
分子名称: ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, PHOSPHATE ION, ...
著者Abad-Zapatero, C, Wolf, N.W.
登録日2018-03-07
公開日2019-06-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads.
Acs Infect Dis., 5, 2019
5NC7
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BU of 5nc7 by Molmil
ENAH EVH1 in complex with Ac-WPPPPTEDEL-NH2
分子名称: ActA-derived 10-mer Ac-FPPPPTEDEL-NH2 with acetylated (Ac) and amidated (NH2) termini. Phe is substitued by Trp to increase affinity for crystallization, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2017-03-03
公開日2018-03-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NEG
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BU of 5neg by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-13]-OEt
分子名称: NITRATE ION, Protein enabled homolog, SULFATE ION, ...
著者Barone, M, Roske, Y.
登録日2017-03-10
公開日2018-03-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NBX
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BU of 5nbx by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-9]-OH
分子名称: ACY-2L5-PRO-PRO-8SN, BROMIDE ION, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2017-03-02
公開日2018-03-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020

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