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7Z53
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BU of 7z53 by Molmil
Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pfanzagl, V, Brito, J.A.
登録日2022-03-07
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献The staphylococcal inhibitory protein SPIN binds to human myeloperoxidase with picomolar affinity but only dampens halide oxidation.
J.Biol.Chem., 298, 2022
7ZML
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BU of 7zml by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G1-001
分子名称: ATP-dependent DNA helicase Q5, Gluebody G1-001, SULFATE ION, ...
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
7ZMM
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BU of 7zmm by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2-001
分子名称: ATP-dependent DNA helicase Q5, Gluebody G2-001, ZINC ION
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
7ZMN
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BU of 7zmn by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-048
分子名称: ATP-dependent DNA helicase Q5, Gluebody G3-048, SULFATE ION, ...
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
7ZKR
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BU of 7zkr by Molmil
Human GABARAP in complex with stapled peptide Pen3-ortho
分子名称: CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ...
著者Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H.
登録日2022-04-13
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
7ZL7
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BU of 7zl7 by Molmil
Human GABARAP in complex with stapled peptide Pen8-ortho
分子名称: CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ...
著者Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H.
登録日2022-04-14
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
8A56
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BU of 8a56 by Molmil
Coenzyme A-persulfide reductase (CoAPR) from Enterococcus faecalis
分子名称: 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Coenzyme A-persulfide reductase, ...
著者Costa, S.S, Walsh, B.J, Giedroc, D.P, Brito, J.A.
登録日2022-06-14
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Metabolic and Structural Insights into Hydrogen Sulfide Mis-Regulation in Enterococcus faecalis.
Antioxidants, 11, 2022
8A7N
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BU of 8a7n by Molmil
Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
分子名称: N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T
著者Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
登録日2022-06-21
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
To Be Published
8A10
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BU of 8a10 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
分子名称: T-box transcription factor T, UNKNOWN LIGAND
著者Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
登録日2022-05-30
公開日2022-07-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
To Be Published
7ZMS
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BU of 7zms by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G4-043
分子名称: ATP-dependent DNA helicase Q5, Gluebody G4-043, ZINC ION
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
4CYO
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BU of 4cyo by Molmil
Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 21).
分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide, ...
著者Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W.
登録日2014-04-14
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
6VRK
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BU of 6vrk by Molmil
Cryo-EM structure of the wild-type human serotonin transporter complexed with Br-paroxetine and 8B6 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ...
著者Coleman, J.A, Navratna, V, Yang, D.
登録日2020-02-07
公開日2020-03-11
最終更新日2020-09-23
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
2SOD
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BU of 2sod by Molmil
DETERMINATION AND ANALYSIS OF THE 2 ANGSTROM STRUCTURE OF COPPER, ZINC SUPEROXIDE DISMUTASE
分子名称: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
著者Tainer, J.A, Getzoff, E.D, Richardson, J.S, Richardson, D.C.
登録日1980-03-25
公開日1980-05-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Determination and analysis of the 2 A-structure of copper, zinc superoxide dismutase.
J.Mol.Biol., 160, 1982
6W2B
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BU of 6w2b by Molmil
Anomalous bromine signal reveals the position of Br-paroxetine complexed with the serotonin transporter at the central site
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, ...
著者Coleman, J.A, Navratna, V, Yang, D.
登録日2020-03-05
公開日2020-03-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.7 Å)
主引用文献Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
7XT3
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BU of 7xt3 by Molmil
Crystal Structure of Hepatitis virus A 2C protein 128-335 aa
分子名称: Genome polyprotein, PHOSPHATE ION
著者Chen, P, Wojdyla, J.A, Li, Z, Wang, M, Cui, S.
登録日2022-05-16
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA.
Nucleic Acids Res., 50, 2022
6VRH
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BU of 6vrh by Molmil
Cryo-EM structure of the wild-type human serotonin transporter complexed with paroxetine and 8B6 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ...
著者Coleman, J.A, Navratna, V, Yang, D.
登録日2020-02-07
公開日2020-03-11
最終更新日2020-09-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
6VRL
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BU of 6vrl by Molmil
Cryo-EM structure of the wild-type human serotonin transporter complexed with I-paroxetine and 8B6 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ...
著者Coleman, J.A, Navratna, V, Yang, D.
登録日2020-02-07
公開日2020-03-11
最終更新日2020-09-23
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
8A39
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BU of 8a39 by Molmil
Crystal Structure of PaaX from Escherichia coli W
分子名称: DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ...
著者Molina, R, Alba-Perez, A, Hermoso, J.A.
登録日2022-06-07
公開日2023-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins.
Int.J.Biol.Macromol., 254, 2024
2VNI
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BU of 2vni by Molmil
X-RAY STRUCTURE OF THE FERREDOXIN-NADP(H) REDUCTASE FROM RHODOBACTER CAPSULATUS IN COMPLEX WITH 2P-AMP AT 2.37 ANGSTROMS RESOLUTION
分子名称: ADENOSINE-2'-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH:FERREDOXIN REDUCTASE, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2008-02-05
公開日2008-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Coenzyme Binding and Hydride Transfer in Rhodobacter Capsulatus Ferredoxin/Flavodoxin Nadp(H) Oxidoreductase.
Biochim.Biophys.Acta, 1794, 2009
6W2C
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BU of 6w2c by Molmil
Anomalous iodine signal reveals the position of I-paroxetine complexed with the serotonin transporter at the central site
分子名称: 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, I-paroxetine, ...
著者Coleman, J.A, Navratna, V, Yang, D.
登録日2020-03-05
公開日2020-03-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (6.3 Å)
主引用文献Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
2VNH
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BU of 2vnh by Molmil
X-RAY STRUCTURE OF THE FERREDOXIN-NADP(H) REDUCTASE FROM RHODOBACTER CAPSULATUS IN COMPLEX WITH NADP. FORM II AT 2.27 ANGSTROMS RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH:FERREDOXIN REDUCTASE, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2008-02-05
公開日2008-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Coenzyme Binding and Hydride Transfer in Rhodobacter Capsulatus Ferredoxin/Flavodoxin Nadp(H) Oxidoreductase.
Biochim.Biophys.Acta, 1794, 2009
8ADW
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BU of 8adw by Molmil
Lipidic alpha-synuclein fibril - polymorph L1C
分子名称: Alpha-synuclein
著者Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F.
登録日2022-07-11
公開日2022-10-12
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
8ADU
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BU of 8adu by Molmil
Lipidic alpha-synuclein fibril - polymorph L1A
分子名称: Alpha-synuclein
著者Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F.
登録日2022-07-11
公開日2022-10-12
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
8AEX
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BU of 8aex by Molmil
Lipidic alpha-synuclein fibril - polymorph L3A
分子名称: Alpha-synuclein
著者Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F.
登録日2022-07-14
公開日2022-10-12
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
8ADV
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BU of 8adv by Molmil
Lipidic alpha-synuclein fibril - polymorph L1B
分子名称: Alpha-synuclein
著者Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F.
登録日2022-07-11
公開日2022-10-12
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022

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