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1DOX
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BU of 1dox by Molmil
1H AND 15N SEQUENTIAL ASSIGNMENT, SECONDARY STRUCTURE AND TERTIARY FOLD OF [2FE-2S] FERREDOXIN FROM SYNECHOCYSTIS SP. PCC 6803
分子名称: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S]
著者Lelong, C, Setif, P, Bottin, H, Andre, F, Neumann, J.M.
登録日1995-09-14
公開日1996-03-08
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献1H and 15N NMR sequential assignment, secondary structure, and tertiary fold of [2Fe-2S] ferredoxin from Synechocystis sp. PCC 6803.
Biochemistry, 34, 1995
1DOY
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1H AND 15N SEQUENTIAL ASSIGNMENT, SECONDARY STRUCTURE AND TERTIARY FOLD OF [2FE-2S] FERREDOXIN FROM SYNECHOCYSTIS SP. PCC 6803
分子名称: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S]
著者Lelong, C, Setif, P, Bottin, H, Andre, F, Neumann, J.M.
登録日1995-09-14
公開日1996-03-08
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献1H and 15N NMR sequential assignment, secondary structure, and tertiary fold of [2Fe-2S] ferredoxin from Synechocystis sp. PCC 6803.
Biochemistry, 34, 1995
2B68
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BU of 2b68 by Molmil
Solution structure of the recombinant Crassostrea gigas defensin
分子名称: defensin
著者Gueguen, Y, Amaury, H, Aumelas, A, Garnier, J, Fievet, J, Escoubas, J.M, Bulet, P, Gonzales, M, Lelong, C, Favrel, P, Bachere, E.
登録日2005-09-30
公開日2005-11-29
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Characterization of a Defensin from the Oyster Crassostrea gigas: recombinant production, folding, solution structure, antimicrobial activities and gene expression
J.Biol.Chem., 281, 2006
8HGO
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BU of 8hgo by Molmil
The EGF-bound EGFR/HER2 ectodomain complex
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, Epidermal growth factor, ...
著者Zhang, Z, Bai, X.
登録日2022-11-15
公開日2023-02-08
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
8HGP
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BU of 8hgp by Molmil
The EREG-bound EGFR/HER2 ectodomain complex
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, Epidermal growth factor receptor, ...
著者Zhang, Z, Bai, X.
登録日2022-11-15
公開日2023-02-08
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (4.53 Å)
主引用文献Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
8HGS
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BU of 8hgs by Molmil
The EGF-bound EGFR ectodomain homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Pro-epidermal growth factor, ...
著者Zhang, Z, Bai, X.
登録日2022-11-15
公開日2023-02-15
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
6K1Z
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BU of 6k1z by Molmil
Crystal structure of farnesylated hGBP1
分子名称: FARNESYL, Guanylate-binding protein 1
著者Du, S, Xiao, J.Y.
登録日2019-05-13
公開日2019-06-12
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8.
Plos Pathog., 15, 2019
6K2D
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BU of 6k2d by Molmil
The crystal structure of GBP1 with LRR domain of IpaH9.8
分子名称: E3 ubiquitin-protein ligase ipaH9.8, Guanylate-binding protein 1
著者Ji, C.G, Xiao, J.Y.
登録日2019-05-14
公開日2019-06-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8.
Plos Pathog., 15, 2019
3O1G
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BU of 3o1g by Molmil
Cathepsin K covalently bound to a 2-cyano pyrimidine inhibitor with a benzyl P3 group.
分子名称: Cathepsin K, N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide, SULFATE ION
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-07-21
公開日2010-10-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
3O0U
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BU of 3o0u by Molmil
Cathepsin K covalently bound to a cyano-pyrimidine inhibitor with improved selectivity over hERG
分子名称: 3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide, Cathepsin K
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-07-20
公開日2011-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
3EIR
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BU of 3eir by Molmil
Crystal structure of CHBP, a Cif Homologue from Burkholderia pseudomallei
分子名称: Putative ATP/GTP binding protein
著者Yao, Q, Zhu, Y, Shao, F.
登録日2008-09-17
公開日2009-02-03
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
3OVX
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BU of 3ovx by Molmil
Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead
分子名称: 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide, Cathepsin S, DIMETHYL SULFOXIDE
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-09-17
公開日2010-12-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OVZ
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BU of 3ovz by Molmil
Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead
分子名称: Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-09-17
公開日2010-12-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3N4C
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BU of 3n4c by Molmil
6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors
分子名称: (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine, Cathepsin S, DIMETHYL SULFOXIDE, ...
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2010-05-21
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3N3G
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BU of 3n3g by Molmil
4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important
分子名称: (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ...
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2010-05-20
公開日2010-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.
Bioorg.Med.Chem.Lett., 20, 2010
3EIT
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BU of 3eit by Molmil
the 2.6 angstrom crystal structure of CHBP, the Cif Homologue from Burkholderia pseudomallei
分子名称: Putative ATP/GTP binding protein
著者Yao, Q, Zhu, Y, Shao, F.
登録日2008-09-17
公開日2009-02-03
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
7DWS
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BU of 7dws by Molmil
The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions
分子名称: Endolysin, ZINC ION
著者Chen, X, Chen, S.
登録日2021-01-17
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally designed protein cross-linked hydrogel for bone regeneration via synergistic release of magnesium and zinc ions.
Biomaterials, 274, 2021
3KW9
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BU of 3kw9 by Molmil
X-ray structure of Cathepsin K covalently bound to a triazine ligand
分子名称: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
著者Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-01
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KWZ
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Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor
分子名称: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KX1
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BU of 3kx1 by Molmil
Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
分子名称: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KWB
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Structure of CatK covalently bound to a dioxo-triazine inhibitor
分子名称: 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, Cathepsin K
著者Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-01
公開日2010-04-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Dioxo-triazines as a novel series of cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
8T6B
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Human VMAT2 in complex with serotonin
分子名称: SEROTONIN, Synaptic vesicular amine transporter
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T69
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Human VMAT2 in complex with tetrabenazine
分子名称: Synaptic vesicular amine transporter, tetrabenazine
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T6A
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Human VMAT2 in complex with reserpine
分子名称: Synaptic vesicular amine transporter, reserpine
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
2P1W
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structure of the phosphothreonine lyase SpvC, the effector protein from Salmonella
分子名称: 27.5 kDa virulence protein
著者Zhu, Y, Wang, D.C, Shao, F.
登録日2007-03-06
公開日2007-12-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase.
Mol.Cell, 28, 2007

 

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