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5I35
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BU of 5i35 by Molmil
Structure of the Human mitochondrial kinase COQ8A R611K with AMPPNP (Cerebellar Ataxia and Ubiquinone Deficiency Through Loss of Unorthodox Kinase Activity)
分子名称: Atypical kinase ADCK3, mitochondrial, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Bingman, C.A, Stefely, J.A, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP)
登録日2016-02-09
公開日2016-08-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cerebellar Ataxia and Coenzyme Q Deficiency through Loss of Unorthodox Kinase Activity.
Mol.Cell, 63, 2016
6R2J
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BU of 6r2j by Molmil
Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C.
登録日2019-03-18
公開日2020-01-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
3QUE
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BU of 3que by Molmil
Human p38 MAP Kinase in Complex with Skepinone-L
分子名称: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D.
登録日2011-02-23
公開日2012-01-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.
Nat.Chem.Biol., 8, 2012
7AH3
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BU of 7ah3 by Molmil
Kinase domain of cSrc in complex with a pyrazolopyrimidine
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Dello Iacono, L, Kleinboelting, S, Fallacara, A.L, Rauh, D.
登録日2020-09-24
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights into the binding of pyrazolopyrimidines to Src kinase
To Be Published
3H0E
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BU of 3h0e by Molmil
3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3
分子名称: (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol, Caspase-3
著者Xu, W.
登録日2009-04-09
公開日2009-11-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3
Bioorg.Med.Chem., 17, 2009
5N47
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BU of 5n47 by Molmil
Structure of Anticalin N7E in complex with the three-domain fragment Fn7B8 of human oncofetal fibronectin
分子名称: Fibronectin, Neutrophil gelatinase-associated lipocalin
著者Schiefner, A, Skerra, A.
登録日2017-02-10
公開日2018-02-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Anticalins Reveal High Plasticity in the Mode of Complex Formation with a Common Tumor Antigen.
Structure, 26, 2018
5N48
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BU of 5n48 by Molmil
Structure of Anticalin N9B in complex with extra-domain B of human oncofetal fibronectin
分子名称: Fibronectin, Neutrophil gelatinase-associated lipocalin
著者Schiefner, A, Skerra, A.
登録日2017-02-10
公開日2018-02-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Anticalins Reveal High Plasticity in the Mode of Complex Formation with a Common Tumor Antigen.
Structure, 26, 2018
1PBW
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BU of 1pbw by Molmil
STRUCTURE OF BCR-HOMOLOGY (BH) DOMAIN
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE
著者Musacchio, A, Cantley, L.C, Harrison, S.C.
登録日1996-10-17
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the breakpoint cluster region-homology domain from phosphoinositide 3-kinase p85 alpha subunit.
Proc.Natl.Acad.Sci.USA, 93, 1996
5MGQ
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BU of 5mgq by Molmil
Solution structure of oxidized and amidated human IAPP (1-37), the diabetes II peptide.
分子名称: Islet amyloid polypeptide
著者Rodriguez Camargo, D.C, Tripsianes, K, Reif, B.
登録日2016-11-21
公開日2017-03-29
最終更新日2025-04-09
実験手法SOLUTION NMR
主引用文献The redox environment triggers conformational changes and aggregation of hIAPP in Type II Diabetes.
Sci Rep, 7, 2017
9HGS
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BU of 9hgs by Molmil
In vitro grown G14R Alpha-Synuclein Fibrils
分子名称: Alpha-synuclein
著者Sicking, K, Fernandez-Busnadiego, R.
登録日2024-11-20
公開日2025-01-29
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A novel alpha-synuclein K58N missense variant in a patient with Parkinson's disease.
Medrxiv, 2025
9HGR
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BU of 9hgr by Molmil
In vitro grown WT Alpha-Synuclein Fibrils
分子名称: Alpha-synuclein
著者Sicking, K, Al-Azzani, M, Outeiro, T.F, Fernandez-Busnadiego, R.
登録日2024-11-20
公開日2025-01-29
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献A novel alpha-synuclein G14R missense variant is associated with atypical neuropathological features.
Medrxiv, 2024
2GVV
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BU of 2gvv by Molmil
Structure of diisopropyl fluorophosphatase (DFPase) in complex with dicyclopentylphosphoroamidate (DcPPA)
分子名称: CALCIUM ION, DICYCLOPENTYL PHOSPHORAMIDATE, Phosphotriesterase
著者Chen, J.C.H, Blum, M.M.
登録日2006-05-03
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
2GVU
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BU of 2gvu by Molmil
Crystal structure of diisopropyl fluorophosphatase (DFPase), mutant D229N / N120D
分子名称: CALCIUM ION, Phosphotriesterase
著者Chen, J.C.H, Blum, M.M.
登録日2006-05-03
公開日2006-09-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
2GVW
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BU of 2gvw by Molmil
Structure of diisopropyl fluorophosphatase (DFPase) holoenzyme (RT)
分子名称: CALCIUM ION, Phosphotriesterase
著者Chen, J.C.H, Blum, M.M.
登録日2006-05-03
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
1GFD
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BU of 1gfd by Molmil
SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE C-TERMINAL SH3 DOMAIN OF GRB2
分子名称: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
著者Kohda, D, Terasawa, H, Hatanaka, H, Inagaki, F.
登録日1994-06-13
公開日1994-08-31
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and ligand-binding site of the carboxy-terminal SH3 domain of GRB2.
Structure, 2, 1994
1GFC
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BU of 1gfc by Molmil
SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE C-TERMINAL SH3 DOMAIN OF GRB2
分子名称: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
著者Kohda, D, Terasawa, H, Hatanaka, H, Inagaki, F.
登録日1994-06-13
公開日1994-08-31
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and ligand-binding site of the carboxy-terminal SH3 domain of GRB2.
Structure, 2, 1994
4RHP
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BU of 4rhp by Molmil
Crystal structure of human COQ9 in complex with a phospholipid, Northeast Structural Genomics Consortium Target HR5043
分子名称: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, mitochondrial
著者Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Lee, D, Kogan, S, Maglaqui, M, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP)
登録日2014-10-02
公開日2014-10-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Mitochondrial COQ9 is a lipid-binding protein that associates with COQ7 to enable coenzyme Q biosynthesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
4HT6
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BU of 4ht6 by Molmil
The Structure of a Yeast Dynein Dyn2-Pac11 Complex and Effect on Single Molecule Dynein Motor Activity
分子名称: Dynein light chain 1, cytoplasmic, WD repeat-containing protein PAC11
著者Slep, K.C, Romes, E.R.
登録日2012-10-31
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The yeast dynein Dyn2-Pac11 complex is a dynein dimerization/processivity factor: structural and single-molecule characterization.
Mol Biol Cell, 24, 2013
1IO6
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BU of 1io6 by Molmil
GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 (GRB2) C-TERMINAL SH3 DOMAIN COMPLEXED WITH A LIGAND PEPTIDE (NMR, MINIMIZED MEAN STRUCTURE)
分子名称: A LIGAND PEPTIDE, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
著者Kawasaki, M, Ogura, K, Hatanaka, H, Inagaki, F.
登録日2001-01-25
公開日2001-02-14
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structure of the C-Terminal SH3 Domain of Grb2 Complexed with a Ligand Peptide: A Ligand Exchange Model of the SH3 Domain
To be Published
3UVP
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BU of 3uvp by Molmil
Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone
分子名称: Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside
著者Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
登録日2011-11-30
公開日2012-11-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors.
J.Med.Chem., 55, 2012
4RZ9
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BU of 4rz9 by Molmil
Pre-mRNA-splicing factor 38A AS 1-179
分子名称: Pre-mRNA-splicing factor 38A
著者Schuetze, T, Weber, G, Wahl, M.C.
登録日2014-12-19
公開日2015-12-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献The N-terminal domain of the unusual SR protein hPrp38 is an interaction hub in the spliceosome
To be Published
4KF7
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BU of 4kf7 by Molmil
Nup188(aa1-1160) from Myceliophthora thermophila
分子名称: Nup188
著者Schwartz, T.U, Andersen, K.R.
登録日2013-04-26
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Scaffold nucleoporins Nup188 and Nup192 share structural and functional properties with nuclear transport receptors.
Elife, 2, 2013
4KF8
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Nup188(aa1445-1827) from Myceliophthora thermophila
分子名称: Nup188
著者Schwartz, T.U, Andersen, K.R.
登録日2013-04-26
公開日2013-06-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Scaffold nucleoporins Nup188 and Nup192 share structural and functional properties with nuclear transport receptors.
Elife, 2, 2013
4E7W
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BU of 4e7w by Molmil
Structure of GSK3 from Ustilago maydis
分子名称: Glycogen Synthase Kinase 3
著者Gruetter, C, Rauh, D.
登録日2012-03-19
公開日2012-05-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals.
Acs Chem.Biol., 7, 2012
3UVQ
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Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative
分子名称: Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside
著者Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
登録日2011-11-30
公開日2012-12-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
J.Med.Chem., 56, 2013

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