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PDB: 2227 件

5N9S
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TTK kinase domain in complex with BAY 1161909
分子名称: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, Dual specificity protein kinase TTK
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-27
公開日2017-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5NA0
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TTK kinase domain in complex with a PEG-linked pyrimido-indolizine
分子名称: Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-27
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
2CHB
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CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE
分子名称: CHOLERA TOXIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Merritt, E.A, Hol, W.G.J.
登録日1997-06-03
公開日1997-12-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of receptor binding by cholera toxin mutants.
Protein Sci., 6, 1997
5N7V
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TTK kinase domain in complex with MPI-0479605
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine
著者Uitdehaag, J, Willemsen-Seegers, N, Zaman, G.J.R.
登録日2017-02-21
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5N7B
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Understanding the singular conformational landscape of the Tn antigens: Sulfur-for- oxygen substitution in the glycosidic linkage provides new insights into molecular recognition by an antibody
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD(CG6)RP(NH2) peptide, ...
著者Companon, I, Martinez-Saez, N, Castro-Lopez, J, Jimenez-Barbero, J, Bernardes, G.J.L, Busto, J.H, Avenoza, A, Jimenez-Oses, G, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F.
登録日2017-02-20
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J.Am.Chem.Soc., 141, 2019
2C31
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CRYSTAL STRUCTURE OF OXALYL-COA DECARBOXYLASE IN COMPLEX WITH THE COFACTOR DERIVATIVE THIAMIN-2-THIAZOLONE DIPHOSPHATE AND ADENOSINE DIPHOSPHATE
分子名称: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Berthold, C.L, Moussatche, P, Richards, N.G.J, Lindqvist, Y.
登録日2005-10-03
公開日2005-10-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural Basis for Activation of the Thiamin Diphosphate-Dependent Enzyme Oxalyl-Coa Decarboxylase by Adenosine Diphosphate.
J.Biol.Chem., 280, 2005
2BH1
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X-ray structure of the general secretion pathway complex of the N- terminal domain of EpsE and the cytosolic domain of EpsL of Vibrio cholerae
分子名称: CALCIUM ION, GENERAL SECRETION PATHWAY PROTEIN E,, GENERAL SECRETION PATHWAY PROTEIN L
著者Abendroth, J, Murphy, P.M, Mushtaq, A, Bagdasarian, M, Sandkvist, M, Hol, W.G.J.
登録日2005-01-06
公開日2005-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The X-Ray Structure of the Type II Secretion System Complex Formed by the N-Terminal Domain of Epse and the Cytoplasmic Domain of Epsl of Vibrio Cholerae
J.Mol.Biol., 348, 2005
5N93
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TTK kinase domain in complex with TC-Mps1-12
分子名称: 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide, Dual specificity protein kinase TTK
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-24
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5N84
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TTK kinase domain in complex with Mps-BAY2b
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Dual specificity protein kinase TTK, SODIUM ION, ...
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-22
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
2BTM
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DOES THE HIS12-LYS13 PAIR PLAY A ROLE IN THE ADAPTATION OF THERMOPHILIC TIMS TO HIGH TEMPERATURES?
分子名称: 2-PHOSPHOGLYCOLIC ACID, PROTEIN (TRIOSEPHOSPHATE ISOMERASE)
著者Delboni, L.F, Mande, S.C, Hol, W.G.J.
登録日1999-01-04
公開日1999-01-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lys13 plays a crucial role in the functional adaptation of the thermophilic triose-phosphate isomerase from Bacillus stearothermophilus to high temperatures.
J.Biol.Chem., 274, 1999
5N87
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TTK kinase domain in complex with NTRC 0066-0
分子名称: 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ...
著者Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-23
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5NAD
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BU of 5nad by Molmil
TTK kinase domain in complex with BAY 1217389
分子名称: BAY 1217389, Dual specificity protein kinase TTK
著者Uitdehaag, J.C.M, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-27
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5O1F
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p53 cancer mutant Y220C in complex with compound MB582
分子名称: 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, ZINC ION
著者Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
5O1D
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p53 cancer mutant Y220C in complex with compound MB481
分子名称: 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
5O1E
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p53 cancer mutant Y220C im complex with compound MB577
分子名称: 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
5O1C
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p53 cancer mutant Y220C in complex with compound MB184
分子名称: 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, ZINC ION
著者Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
5O1I
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p53 cancer mutant Y220C in complex with compound MB710
分子名称: 1,2-ETHANEDIOL, 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid, Cellular tumor antigen p53, ...
著者Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
2B94
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Structural analysis of P knowlesi homolog of P falciparum PNP
分子名称: THIOSULFATE, purine nucleoside phosphorylase
著者Robien, M.A, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-10-10
公開日2005-11-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural analysis of P knowlesi homolog of P falciparum PNP
To be Published
5O1A
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p53 cancer mutant Y220C in complex with compound MB240
分子名称: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
著者Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
5O1H
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p53 cancer mutant Y220C in complex with compound MB539
分子名称: 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
5O1G
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p53 cancer mutant Y220C in complex with compound MB487
分子名称: 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
5O1B
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p53 cancer mutant Y220C in complex with compound MB84
分子名称: 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
2B8W
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Crystal-structure of the N-terminal Large GTPase Domain of human Guanylate Binding protein 1 (hGBP1) in complex with GMP/AlF4
分子名称: GUANOSINE-5'-MONOPHOSPHATE, Interferon-induced guanylate-binding protein 1, MAGNESIUM ION, ...
著者Ghosh, A, Praefcke, G.J.K, Renault, L, Wittinghofer, A, Herrmann, C.
登録日2005-10-10
公開日2006-03-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献How guanylate-binding proteins achieve assembly-stimulated processive cleavage of GTP to GMP.
Nature, 440, 2006
2B4R
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Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 Angstrom Resolution reveals intriguing extra electron density in the active site
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Robien, M.A, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-09-26
公開日2005-10-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 A resolution reveals intriguing extra electron density in the active site
Proteins, 62, 2006
2B92
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Crystal-structure of the N-terminal Large GTPase Domain of human Guanylate Binding protein 1 (hGBP1) in complex with GDP/AlF3
分子名称: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Interferon-induced guanylate-binding protein 1, ...
著者Ghosh, A, Praefcke, G.J.K, Renault, L, Wittinghofer, A, Herrmann, C.
登録日2005-10-10
公開日2006-03-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献How guanylate-binding proteins achieve assembly-stimulated processive cleavage of GTP to GMP.
Nature, 440, 2006

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