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6FW0
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Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-05
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
6FWC
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Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-06
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
6FVZ
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Crystal structure of human monoamine oxidase B (MAO B) in complex with dimethylphenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-05
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
8CAP
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BU of 8cap by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CB28
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative ferric reductase, [4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CB0
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Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 and NADP+
分子名称: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAL
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BU of 8cal by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M34
分子名称: 3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAK
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Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41
分子名称: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, DIMETHYL SULFOXIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAO
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Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CA24
分子名称: 1,2-ETHANEDIOL, 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione, DI(HYDROXYETHYL)ETHER, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
6YT2
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BU of 6yt2 by Molmil
Crystal Structure of human monoamine oxidase B in complex with Diphenylene iodonium (DPI)
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Iacovino, L.G, Reis, J, Mai, A, Mattevi, A, Binda, C.
登録日2020-04-23
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Diphenylene Iodonium Is a Noncovalent MAO Inhibitor: A Biochemical and Structural Analysis.
Chemmedchem, 15, 2020
1YP3
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BU of 1yp3 by Molmil
Crystal structure of potato tuber ADP-glucose pyrophosphorylase in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Glucose-1-phosphate adenylyltransferase small subunit, SULFATE ION
著者Jin, X, Ballicora, M.A, Preiss, J, Geiger, J.H.
登録日2005-01-29
公開日2005-03-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of potato tuber ADP-glucose pyrophosphorylase.
Embo J., 24, 2005
1YP2
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Crystal structure of potato tuber ADP-glucose pyrophosphorylase
分子名称: Glucose-1-phosphate adenylyltransferase small subunit, PARA-MERCURY-BENZENESULFONIC ACID, SULFATE ION
著者Jin, X, Ballicora, M.A, Preiss, J, Geiger, J.H.
登録日2005-01-29
公開日2005-03-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of potato tuber ADP-glucose pyrophosphorylase.
Embo J., 24, 2005
1YP4
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BU of 1yp4 by Molmil
Crystal structure of potato tuber ADP-glucose pyrophosphorylase in complex with ADP-glucose
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, Glucose-1-phosphate adenylyltransferase small subunit, ...
著者Jin, X, Ballicora, M.A, Preiss, J, Geiger, J.H.
登録日2005-01-29
公開日2005-03-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of potato tuber ADP-glucose pyrophosphorylase.
Embo J., 24, 2005
1M7X
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BU of 1m7x by Molmil
The X-ray Crystallographic Structure of Branching Enzyme
分子名称: 1,4-alpha-glucan Branching Enzyme
著者Abad, M.C, Binderup, K, Rios-Steiner, J, Arni, R.K, Preiss, J, Geiger, J.H.
登録日2002-07-23
公開日2002-09-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The X-ray crystallographic structure of Escherichia coli branching enzyme
J.Biol.Chem., 277, 2002
1A1D
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BU of 1a1d by Molmil
YEAST RNA POLYMERASE SUBUNIT RPB8, NMR, MINIMIZED AVERAGE STRUCTURE, ALPHA CARBONS ONLY
分子名称: RNA POLYMERASE
著者Krapp, S, Kelly, G, Reischl, J, Weinzierl, R, Matthews, S.
登録日1997-12-10
公開日1999-03-02
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Eukaryotic RNA polymerase subunit RPB8 is a new relative of the OB family.
Nat.Struct.Biol., 5, 1998
8TVN
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BU of 8tvn by Molmil
IRAK4 in complex with compound 23
分子名称: Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
著者Metrick, C.M, Chodaparambil, J.V.
登録日2023-08-18
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8TVM
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BU of 8tvm by Molmil
IRAK4 in complex with compound 24
分子名称: Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
著者Metrick, C.M, Chodaparambil, J.V.
登録日2023-08-18
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
2QZS
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BU of 2qzs by Molmil
Crystal Structure of Wild-type E.coli GS in complex with ADP and Glucose(wtGSb)
分子名称: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, ADENOSINE-5'-DIPHOSPHATE, alpha-D-glucopyranose, ...
著者Sheng, F, Geiger, J.
登録日2007-08-17
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
J.Biol.Chem., 284, 2009
2R4T
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BU of 2r4t by Molmil
Crystal Structure of Wild-type E.coli GS in Complex with ADP and Glucose(wtGSc)
分子名称: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sheng, F, Geiger, J.
登録日2007-09-01
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.258 Å)
主引用文献The crystal structures of the open and catalytically competent closed conformation of Escherichia coli glycogen synthase.
J.Biol.Chem., 284, 2009
2R4U
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BU of 2r4u by Molmil
Crystal Structure of Wild-type E.coli GS in complex with ADP and Glucose(wtGSd)
分子名称: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sheng, F, Geiger, J.
登録日2007-09-01
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.367 Å)
主引用文献The crystal structures of the open and catalytically competent closed conformation of Escherichia coli glycogen synthase.
J.Biol.Chem., 284, 2009
3GUH
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BU of 3guh by Molmil
Crystal Structure of Wild-type E.coli GS in complex with ADP and DGM
分子名称: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,5-anhydro-D-glucitol, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
著者Sheng, F, Geiger, J.
登録日2009-03-30
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
J.Biol.Chem., 284, 2009
8TX0
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BU of 8tx0 by Molmil
IRAK4 in complex with compound
分子名称: 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, SODIUM ION, ...
著者Metrick, C.M, Chodaparambil, J.V.
登録日2023-08-21
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of BIO-8169─A Highly Potent, Selective, and Brain-Penetrant IRAK4 Inhibitor for the Treatment of Neuroinflammation.
J.Med.Chem., 67, 2024
3COP
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BU of 3cop by Molmil
Crystal Structure of E.coli GS mutant E377A in complex with ADP and acceptor analogue HEPPSO
分子名称: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase, ...
著者Sheng, F, Geiger, J.H.
登録日2008-03-28
公開日2009-03-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
J.Biol.Chem., 284, 2009
3D1J
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BU of 3d1j by Molmil
Crystal Structure of E.coli GS mutant dmGS(C7S;C408S)
分子名称: Glycogen synthase
著者Sheng, F, Geiger, J.H.
登録日2008-05-06
公開日2009-03-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
J.Biol.Chem., 284, 2009
3CX4
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Crystal Structure of E.coli GS mutant E377A in complex with ADP and oligosaccharides
分子名称: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sheng, F, Geiger, J.H.
登録日2008-04-23
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Oligosaccharide binding in Escherichia coli glycogen synthase.
Biochemistry, 48, 2009

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