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5AI3
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BU of 5ai3 by Molmil
X-ray structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.02A resolution at 295K in a quartz capillary
分子名称: CADMIUM ION, RUBREDOXIN
著者Cuypers, M.G, Mitchell, E.P.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
5AI2
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BU of 5ai2 by Molmil
Anomalous Neutron phased crystal structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.75A resolution at 295K
分子名称: CADMIUM ION, RUBREDOXIN, deuterium(1+)
著者Cuypers, M.G, Mossou, E, Mason, S.A.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
1U8K
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Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide LELDKWASL
分子名称: ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE
著者Bryson, S, Julien, J.-P, Pai, E.F.
登録日2004-08-06
公開日2004-10-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptides and Peptide Mimetics
To be Published
6ZOJ
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BU of 6zoj by Molmil
SARS-CoV-2-Nsp1-40S complex, composite map
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M.L, Thiel, V, Muehlemann, O, Ban, N.
登録日2020-07-07
公開日2020-07-22
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation.
Nat.Struct.Mol.Biol., 27, 2020
6ZOL
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SARS-CoV-2-Nsp1-40S complex, focused on head
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S12, ...
著者Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M.L, Thiel, V, Muehlemann, O, Ban, N.
登録日2020-07-07
公開日2020-07-22
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation.
Nat.Struct.Mol.Biol., 27, 2020
4PMS
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BU of 4pms by Molmil
The structure of TrkA kinase bound to the inhibitor 4-naphthalen-1-yl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
分子名称: 4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Su, H.P.
登録日2014-05-22
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4M05
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BU of 4m05 by Molmil
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii R173E
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Chlorite dismutase, ...
著者Gysel, K, Hagmueller, A, Djinovic-Carugo, K.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
4PMP
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The structure of TrkA kinase bound to the inhibitor 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
分子名称: 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea, ACETATE ION, CHLORIDE ION, ...
著者Su, H.P.
登録日2014-05-22
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4PMM
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BU of 4pmm by Molmil
The structure of TrkA kinase bound to the inhibitor N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Su, H.P.
登録日2014-05-22
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4PMT
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BU of 4pmt by Molmil
The structure of TrkA kinase bound to the inhibitor N~4~-(4-morpholin-4-ylphenyl)-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
分子名称: ACETATE ION, CHLORIDE ION, High affinity nerve growth factor receptor, ...
著者Su, H.P.
登録日2014-05-22
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4M09
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BU of 4m09 by Molmil
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W146Y R173Q
分子名称: 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ...
著者Gysel, K, Hagmueller, A, Djinovic-Carugo, K.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
6DGV
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BU of 6dgv by Molmil
iGABASnFR Fluorescent GABA Sensor precursor
分子名称: Fluorescent GABA Sensor precursor
著者Marvin, J.S, Looger, L.L.
登録日2018-05-18
公開日2019-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A genetically encoded fluorescent sensor for in vivo imaging of GABA.
Nat.Methods, 16, 2019
2QXW
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BU of 2qxw by Molmil
Perdeuterated alr2 in complex with idd594
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O, Cousido-Siah, A, Joachimiak, A, Myles, D, Podjarny, A.
登録日2007-08-13
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R8P
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BU of 2r8p by Molmil
Transketolase from E. coli in complex with substrate D-fructose-6-phosphate
分子名称: 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, ...
著者Wille, G, Asztalos, P, Weiss, M.S, Tittmann, K.
登録日2007-09-11
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Strain and near attack conformers in enzymic thiamin catalysis: X-ray crystallographic snapshots of bacterial transketolase in covalent complex with donor ketoses xylulose 5-phosphate and fructose 6-phosphate, and in noncovalent complex with acceptor aldose ribose 5-phosphate.
Biochemistry, 46, 2007
2R5I
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BU of 2r5i by Molmil
Pentamer Structure of Major Capsid Protein L1 of Human Papilloma Virus type 18
分子名称: L1 protein
著者Bishop, B, Dasgupta, J, Chen, X.S.
登録日2007-09-03
公開日2008-05-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies.
J.Biol.Chem., 282, 2007
6QAY
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BU of 6qay by Molmil
Structural investigation of the TasA anchoring protein TapA from Bacillus subtilis
分子名称: TasA anchoring/assembly protein
著者Higman, V.A, Schmieder, P, Diehl, A, Oschkinat, H.
登録日2018-12-20
公開日2020-01-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献TapA acts as specific chaperone in TasA filament formation by strand complementation.
Proc.Natl.Acad.Sci.USA, 120, 2023
3H8N
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BU of 3h8n by Molmil
Crystal Structure Analysis of KIR2DS4
分子名称: Killer cell immunoglobulin-like receptor 2DS4
著者Graef, T, Bushnell, D.A, Parham, P.
登録日2009-04-29
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献KIR2DS4 is a product of gene conversion with KIR3DL2 that introduced specificity for HLA-A*11 while diminishing avidity for HLA-C.
J.Exp.Med., 206, 2009
7ZKS
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SRPK1 IN COMPLEX WITH INHIBITOR
分子名称: CHLORIDE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, SRSF protein kinase 1
著者Graedler, U.
登録日2022-04-13
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
J.Med.Chem., 66, 2023
7ZKX
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SRPK2 IN COMPLEX WITH INHIBITOR
分子名称: 1,2-ETHANEDIOL, ACETATE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, ...
著者Graedler, U.
登録日2022-04-13
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
J.Med.Chem., 66, 2023
2R5N
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Crystal structure of transketolase from Escherichia coli in noncovalent complex with acceptor aldose ribose 5-phosphate
分子名称: 1,2-ETHANEDIOL, 5-O-phosphono-beta-D-ribofuranose, CALCIUM ION, ...
著者Parthier, C, Asztalos, P, Wille, G, Tittmann, K.
登録日2007-09-04
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Strain and Near Attack Conformers in Enzymic Thiamin Catalysis: X-ray Crystallographic Snapshots of Bacterial Transketolase in Covalent Complex with Donor Ketoses Xylulose 5-phosphate and Fructose 6-phosphate, and in Noncovalent Complex with Acceptor Aldose Ribose 5-phosphate.
Biochemistry, 46, 2007
2R5K
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Pentamer Structure of Major Capsid protein L1 of Human Papilloma Virus type 11
分子名称: Major capsid protein L1
著者Bishop, B, Dasgupta, J, Chen, X.S.
登録日2007-09-03
公開日2008-05-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies.
J.Biol.Chem., 282, 2007
2R8O
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Transketolase from E. coli in complex with substrate D-xylulose-5-phosphate
分子名称: 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-O-phosphono-D-xylitol, CALCIUM ION, ...
著者Wille, G, Asztalos, P, Weiss, M.S, Tittmann, K.
登録日2007-09-11
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Strain and near attack conformers in enzymic thiamin catalysis: X-ray crystallographic snapshots of bacterial transketolase in covalent complex with donor ketoses xylulose 5-phosphate and fructose 6-phosphate, and in noncovalent complex with acceptor aldose ribose 5-phosphate.
Biochemistry, 46, 2007
2R5J
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Pentamer Structure of Major Capsid protein L1 of Human Papilloma Virus Type 35
分子名称: Major capsid protein L1
著者Bishop, B, Dasgupta, J, Chen, X.S.
登録日2007-09-03
公開日2008-05-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies.
J.Biol.Chem., 282, 2007
2R5H
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Pentamer structure of Major Capsid Protein L1 of Human Papilloma Virus type 16
分子名称: Late major capsid protein L1
著者Bishop, B, Dasgupta, J, Chen, X.S.
登録日2007-09-03
公開日2008-05-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies.
J.Biol.Chem., 282, 2007
6ERC
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Peroxidase A from Dictyostelium discoideum (DdPoxA)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nicolussi, A, Mlynek, G, Furtmueller, P.G, Djinovic-Carugo, K, Obinger, C.
登録日2017-10-17
公開日2017-12-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.50001836 Å)
主引用文献Secreted heme peroxidase from Dictyostelium discoideum: Insights into catalysis, structure, and biological role.
J. Biol. Chem., 293, 2018

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