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8GWK
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BU of 8gwk by Molmil
SARS-CoV-2 RNA E-RTC complex with RMP-nsp9 and GMPPNP
分子名称: Helicase, MAGNESIUM ION, Non-structural protein 7, ...
著者Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
5ZUF
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BU of 5zuf by Molmil
Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with A9
分子名称: Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ...
著者Wang, X, Zhu, L, Wang, N.
登録日2018-05-07
公開日2019-12-25
最終更新日2021-01-06
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71.
Mbio, 9, 2018
6LGW
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BU of 6lgw by Molmil
Structure of Rabies virus glycoprotein in complex with neutralizing antibody 523-11 at acidic pH
分子名称: Glycoprotein, scFv 523-11
著者Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W.
登録日2019-12-06
公開日2020-02-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9037 Å)
主引用文献Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
7DG4
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BU of 7dg4 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 6
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-10
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
6AEI
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BU of 6aei by Molmil
Cryo-EM structure of the receptor-activated TRPC5 ion channel
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
著者Duan, J, Li, Z, Li, J, Zhang, J.
登録日2018-08-05
公開日2019-08-07
最終更新日2019-08-14
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Sci Adv, 5, 2019
7DH9
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BU of 7dh9 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 7
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHO
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BU of 7dho by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 14
分子名称: 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHC
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BU of 7dhc by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 10
分子名称: 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHH
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BU of 7dhh by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 19
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-14
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.486 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHN
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BU of 7dhn by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 20
分子名称: 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHK
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BU of 7dhk by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 13
分子名称: 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-17
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
3K97
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BU of 3k97 by Molmil
HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
分子名称: 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S.
登録日2009-10-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-26
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
6LGX
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BU of 6lgx by Molmil
Structure of Rabies virus glycoprotein at basic pH
分子名称: Glycoprotein,Glycoprotein,Glycoprotein
著者Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W.
登録日2019-12-06
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.097 Å)
主引用文献Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
3K98
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BU of 3k98 by Molmil
HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide
分子名称: (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION
著者Gajiwala, K.S, Davies II, J.F.
登録日2009-10-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
5J9W
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BU of 5j9w by Molmil
Crystal structure of the NuA4 core complex
分子名称: ACETYL COENZYME *A, Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, ...
著者Chen, Z.C, Xu, P.
登録日2016-04-11
公開日2016-10-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
5T92
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BU of 5t92 by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
分子名称: (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor
著者Kirby, C, Baird, J.
登録日2016-09-09
公開日2017-03-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
5T97
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BU of 5t97 by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
分子名称: (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor
著者Kirby, C.A, Baird, J.
登録日2016-09-09
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
4L5B
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BU of 4l5b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor
分子名称: 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2013-06-10
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
3K99
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BU of 3k99 by Molmil
HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol
分子名称: 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S, Davies II, J.F.
登録日2009-10-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
7V9E
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BU of 7v9e by Molmil
Crystal structure of a methyl transferase ribozyme
分子名称: BARIUM ION, GUANINE, RNA (68-MER), ...
著者Deng, J, Lilley, D.M.J, Huang, L.
登録日2021-08-25
公開日2022-03-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanism of a methyltransferase ribozyme.
Nat.Chem.Biol., 18, 2022
6LSA
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BU of 6lsa by Molmil
Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D, ...
著者Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
登録日2020-01-17
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
8GTK
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BU of 8gtk by Molmil
Crystal structure of IpaH7.8-LRR and GSDMB isoform-1 complex
分子名称: GSDMB isoform-1, Probable E3 ubiquitin-protein ligase ipaH7.8
著者Zhong, X, Hou, Y.J, Ding, J.
登録日2022-09-08
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural mechanisms for regulation of GSDMB pore-forming activity.
Nature, 616, 2023

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