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7SJK
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BU of 7sjk by Molmil
Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus
分子名称: CALCIUM ION, Pls Plasmin sensitive surface protein
著者Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
登録日2021-10-18
公開日2022-10-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.208 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
5TVX
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BU of 5tvx by Molmil
Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg, fully hydrolyzed
分子名称: ADENOSINE-5'-DIPHOSPHATE, TNF receptor-associated protein 1
著者Elnatan, D, Betegon, M, Agard, D.A.
登録日2016-11-10
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1.
Elife, 6, 2017
7S03
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BU of 7s03 by Molmil
DNA-binding domain of human SETMAR in complex with Hsmar1 terminal inverted repeat (TIR) DNA
分子名称: Histone-lysine N-methyltransferase SETMAR, Hsmar1 terminal inverted repeats
著者Chen, Q, Georgiadis, M.M.
登録日2021-08-28
公開日2022-08-03
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural and genome-wide analyses suggest that transposon-derived protein SETMAR alters transcription and splicing.
J.Biol.Chem., 298, 2022
3O7Q
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BU of 3o7q by Molmil
Crystal structure of a Major Facilitator Superfamily (MFS) transporter, FucP, in the outward conformation
分子名称: L-fucose-proton symporter, nonyl beta-D-glucopyranoside
著者Sun, L.F, Dang, S.Y, Wang, J, Yan, N.
登録日2010-07-30
公開日2010-09-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.143 Å)
主引用文献Structure of a fucose transporter in an outward-open conformation
Nature, 467, 2010
7SMH
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BU of 7smh by Molmil
Structure of SASG A-domain (residues 163-419) from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Surface protein G
著者Atkin, K.E, Whelan, F, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
登録日2021-10-25
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
5TVW
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BU of 5tvw by Molmil
Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg, hemi-hydrolyzed
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, COBALT (II) ION, ...
著者Elnatan, D, Betegon, M, Agard, D.A, Northeast Structural Genomics Consortium (NESG)
登録日2016-11-10
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1.
Elife, 6, 2017
5TCZ
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BU of 5tcz by Molmil
NMR solution structure of engineered Protoxin-II analog
分子名称: Beta/omega-theraphotoxin-Tp2a
著者Gibbs, A.C, Wickenden, A.D.
登録日2016-09-16
公開日2017-01-18
実験手法SOLUTION NMR
主引用文献Insensitivity to pain induced by a potent selective closed-state Nav1.7 inhibitor.
Sci Rep, 7, 2017
7D3I
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BU of 7d3i by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase
著者Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J.
登録日2020-09-19
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
5UFK
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BU of 5ufk by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-04
公開日2017-05-10
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
7XO2
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BU of 7xo2 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-4) Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-04-30
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7XO1
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BU of 7xo1 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-1) Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-04-30
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7XO0
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BU of 7xo0 by Molmil
Minor polymorph inalpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-1) Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-04-30
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7XO3
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BU of 7xo3 by Molmil
Type 1C alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-4) Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-04-30
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
3DBF
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BU of 3dbf by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562
分子名称: 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase
著者Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J.
登録日2008-05-31
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
1S4U
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BU of 1s4u by Molmil
Crystal Structure analysis of the beta-propeller protein Ski8p
分子名称: Antiviral protein SKI8
著者Cheng, Z, Song, H.
登録日2004-01-18
公開日2004-12-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Ski8p, a WD-repeat protein with dual roles in mRNA metabolism and meiotic recombination
Protein Sci., 13, 2004
4GJ3
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BU of 4gj3 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
分子名称: 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-09
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
5UF5
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BU of 5uf5 by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer)
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
1XMM
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BU of 1xmm by Molmil
Structure of human Dcps bound to m7GDP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
著者Chen, N, Song, H.
登録日2004-10-04
公開日2005-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human DcpS in ligand-free and m7GDP-bound forms suggest a dynamic mechanism for scavenger mRNA decapping.
J.Mol.Biol., 347, 2005
2A1R
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BU of 2a1r by Molmil
Crystal structure of PARN nuclease domain
分子名称: 5'-R(*AP*AP*A)-3', Poly(A)-specific ribonuclease PARN
著者Wu, M, Song, H.
登録日2005-06-21
公開日2005-12-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insight into poly(A) binding and catalytic mechanism of human PARN
Embo J., 24, 2005
1XML
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BU of 1xml by Molmil
Structure of human Dcps
分子名称: PHOSPHATE ION, heat shock-like protein 1
著者Chen, N, Song, H.
登録日2004-10-04
公開日2005-03-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of human DcpS in ligand-free and m7GDP-bound forms suggest a dynamic mechanism for scavenger mRNA decapping.
J.Mol.Biol., 347, 2005
2A1S
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BU of 2a1s by Molmil
Crystal structure of native PARN nuclease domain
分子名称: Poly(A)-specific ribonuclease PARN
著者Wu, M, Song, H.
登録日2005-06-21
公開日2005-12-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insight into poly(A) binding and catalytic mechanism of human PARN
Embo J., 24, 2005
2OC7
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BU of 2oc7 by Molmil
Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696
分子名称: BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
8ITU
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BU of 8itu by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 IgG.
分子名称: 1H1 heavy chain, 1H1 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2023-03-23
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
3F53
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Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 2F-3'SiaLacNAc
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Garnett, J.A.
登録日2008-11-03
公開日2009-07-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Detailed insights from microarray and crystallographic studies into carbohydrate recognition by microneme protein 1 (MIC1) of Toxoplasma gondii.
Protein Sci., 18, 2009
5EYI
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BU of 5eyi by Molmil
Structure of PRRSV apo-NSP11 at 2.16A
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, Non-structural protein 11, ...
著者Zhang, M.F, Chen, Z.
登録日2015-11-25
公開日2016-10-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017

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