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5AH9
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Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II)
分子名称: (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE
著者Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Enstrom, O, Unge, J.
登録日2015-02-05
公開日2015-05-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
5BN2
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Room Temperature Structure of Pichia pastoris aquaporin at 1.3 A
分子名称: AQY1 protein, CALCIUM ION, CHLORIDE ION, ...
著者Fischer, G, Kosinska Eriksson, U, Hedfalk, K, Neutze, R.
登録日2015-05-25
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Room Temperature Structure of Pichia pastoris aquaporin at 1.3 A
To Be Published
4ZZW
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Geotrichum candidum Cel7A structure complex with cellobiose at 1.5A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ...
著者Borisova, A.S, Stahlberg, J.
登録日2015-04-14
公開日2015-09-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
5ACI
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BU of 5aci by Molmil
X-ray Structure of LPMO
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
著者Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johanson, K.S, Lo Leggio, L.
登録日2015-08-17
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
4ZZQ
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Dictyostelium discoideum cellobiohydrolase Cel7A apo structure
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, DI(HYDROXYETHYL)ETHER
著者Momeni, M.H, Hobdey, S.E, Knott, B, Beckham, G.T, Stahlberg, J.
登録日2015-04-13
公開日2016-04-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and Structural Characterization of Two Dictyostelium Cellobiohydrolases from the Amoebozoa Kingdom Reveal a High Conservation between Distant Phylogenetic Trees of Life.
Appl.Environ.Microbiol., 82, 2016
4ZZU
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BU of 4zzu by Molmil
Geotrichum candidum Cel7A structure complex with thio-linked cellotetraose at 1.4A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ...
著者Borisova, A.S, Stahlberg, J.
登録日2015-04-14
公開日2015-09-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
5B0W
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BU of 5b0w by Molmil
Crystal structure of the 11-cis isomer of pharaonis halorhodopsin in the absence of halide ions
分子名称: 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, BACTERIORUBERIN, Halorhodopsin, ...
著者Kouyama, T, Chan, S.K.
登録日2015-11-11
公開日2016-07-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the 11-cis Isomer of Pharaonis Halorhodopsin: Structural Constraints on Interconversions among Different Isomeric States
Biochemistry, 55, 2016
5ACJ
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BU of 5acj by Molmil
X-ray Structure of LPMO
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
著者Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L.
登録日2015-08-17
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
5A0Z
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BU of 5a0z by Molmil
STRUCTURE OF CUTC CHOLINE LYASE CHOLINE FREE FORM FROM KLEBSIELLA PNEUMONIAE
分子名称: CHOLINE TRIMETHYLAMINE LYASE
著者Kalnins, G, Tars, K.
登録日2015-04-27
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and Function of Cutc Choline Lyase from Human Microbiota Bacterium Klebsiella Pneumoniaee
J.Biol.Chem., 290, 2015
5AMD
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BU of 5amd by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
6OHD
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BU of 6ohd by Molmil
P38 in complex with T-3220137
分子名称: 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14
著者Lane, W, Saikatendu, K.
登録日2019-04-05
公開日2019-11-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2.
Chemmedchem, 14, 2019
5AHC
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BU of 5ahc by Molmil
Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II)
分子名称: (3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE
著者Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J.
登録日2015-02-05
公開日2015-05-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
5A4J
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BU of 5a4j by Molmil
Crystal structure of FTHFS1 from T.acetoxydans Re1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, D(-)-TARTARIC ACID, ...
著者Bergdahl, R, Jacobson, F, Muller, B, Mikkelsen, N, Schurer, A, Sandgren, M.
登録日2015-06-10
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Characterization, Crystallization and Three- Dimensional Structures of Formyltetrahydrofolate Synthetase (Fthfs) from the Syntrophic Acetate Oxidising Bacterium Tepidanaerobacter Acetatoxydans Re1
To be Published
5A7C
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BU of 5a7c by Molmil
Crystal structure of the second bromodomain of human BRD3 in complex with compound
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE
著者Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B.
登録日2015-07-03
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins.
Cancer Res., 76, 2016
5AML
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BU of 5aml by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5AMG
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BU of 5amg by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
8S79
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Lotus japonicus NFR5 intracellular domain in complex with Nanobody 200
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Hansen, S.B, Gysel, K, Andersen, K.R.
登録日2024-02-29
公開日2024-11-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A conserved juxtamembrane motif in plant NFR5 receptors is essential for root nodule symbiosis.
Proc.Natl.Acad.Sci.USA, 121, 2024
8RNE
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HLA-E*01:03 in complex with SARS-CoV-2 Nsp13 peptide, VMPLSAPTL
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, E alpha chain variant, ...
著者Sun, R, Achour, A, Sala, B.M, Sandalova, T.
登録日2024-01-09
公開日2024-12-04
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Emerging mutation in SARS-CoV-2 facilitates escape from NK cell recognition and associates with enhanced viral fitness.
Plos Pathog., 20, 2024
8RNF
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HLA-E*01:03 in complex with SARS-CoV-2 Omicron Nsp13 peptide, VIPLSAPTL
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, E alpha chain variant, ...
著者Sun, R, Achour, A, Sala, B.M, Sandalova, T.
登録日2024-01-09
公開日2024-12-04
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Emerging mutation in SARS-CoV-2 facilitates escape from NK cell recognition and associates with enhanced viral fitness.
Plos Pathog., 20, 2024
8S6Z
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BU of 8s6z by Molmil
CD28 in complex with the antibody Fab fragment AI3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Majocchi, S, Giovanni, M, Malinge, P, Fischer, N, Svensson, L.A, Kelpsas, V, Rose, N.C.
登録日2024-02-28
公開日2024-12-18
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献NI-3201 Is a Bispecific Antibody Mediating PD-L1-Dependent CD28 Co-stimulation on T Cells for Enhanced Tumor Control.
Cancer Immunol Res, 13, 2025
1LDO
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BU of 1ldo by Molmil
avidin-norbioitn complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, NORBIOTIN, avidin
著者Pazy, Y, Kulik, T, Bayer, E.A, Wilchek, M, Livnah, O.
登録日2002-04-09
公開日2002-11-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ligand exchange between proteins: exchange of biotin and biotin derivatives between avidin and streptavidin
J.Biol.Chem., 277, 2002
8S1Z
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Crystal structure of glycosylated human primary amine oxidase AOC3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Guedez, G, Alix, M, Salminen, T.A.
登録日2024-02-16
公開日2025-01-22
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural flexibility of domains in human AOC3
To Be Published
8S60
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Tankyrase 2 in complex with a quinazolin-4-one inhibitor
分子名称: 8-nitro-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ...
著者Bosetti, C, Paakkonen, J, Lehtio, L.
登録日2024-02-26
公開日2025-03-12
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Substitutions at the C-8 position of quinazolin-4-ones improve the potency of nicotinamide site binding tankyrase inhibitors.
Eur.J.Med.Chem., 288, 2025
8S2F
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Crystal structure of Borrelia burgdorferi paralogous family 12 outer surface protein BBH37
分子名称: Lipoprotein, putative
著者Brangulis, K.
登録日2024-02-17
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Borrelia burgdorferi outer surface protein BBH37
To Be Published
8RMX
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Transglutaminase 3 in complex with DH patient-derived Fab DH63-A02
分子名称: Antibody Fab fragment heavy chain IGHV2-5, Antibody Fab fragment light chain IGKV4-1, CALCIUM ION, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2024-01-09
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Enzyme-activating B-cell receptors boost antigen presentation to pathogenic T cells in gluten-sensitive autoimmunity.
Nat Commun, 16, 2025

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件を2025-07-09に公開中

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