5J9Z
 
 | | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | | 分子名称: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | | 著者 | Becker, C, Engel, J, Rauh, D. | | 登録日 | 2016-04-11 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5J9Y
 | | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | | 分子名称: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | | 著者 | Becker, C, Engel, J, Rauh, D. | | 登録日 | 2016-04-11 | | 公開日 | 2016-08-17 | | 最終更新日 | 2016-09-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
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7QXF
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8R3F
 | | C-terminal Rel-homology Domain of NFAT1 | | 分子名称: | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine, Nuclear factor of activated T-cells, cytoplasmic 2 | | 著者 | Zak, K.M, Boettcher, J. | | 登録日 | 2023-11-08 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Ligandability assessment of the C-terminal Rel-homology domain of NFAT1.
Arch Pharm, 357, 2024
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8R07
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7ZL4
 | | Cryo-EM structure of archaic chaperone-usher Csu pilus of Acinetobacter baumannii | | 分子名称: | CsuA/B | | 著者 | Pakharukova, N, Malmi, H, Tuittila, M, Paavilainen, S, Ghosal, D, Chang, Y.W, Jensen, G.J, Zavialov, A.V. | | 登録日 | 2022-04-13 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | | 主引用文献 | Archaic chaperone-usher pili self-secrete into superelastic zigzag springs.
Nature, 609, 2022
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1CBI
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8AG2
 | | Crystal structure of the BPTF bromodomain in complex with BI-7190 | | 分子名称: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | | 登録日 | 2022-07-19 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.025 Å) | | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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3K7W
 | | Protein phosphatase 2A core complex bound to dinophysistoxin-2 | | 分子名称: | (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[( 2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ... | | 著者 | Jeffrey, P.D, Huhn, J, Shi, Y. | | 登録日 | 2009-10-13 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | A structural basis for the reduced toxicity of dinophysistoxin-2.
Chem.Res.Toxicol., 22, 2009
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8AHC
 | | Crystal structure of the BRD9 bromodomain with BI-7189 | | 分子名称: | Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium | | 著者 | Bader, G, Boettcher, J, Weiss-Puxbaum, A. | | 登録日 | 2022-07-21 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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8B55
 | | Human ADGRG4 PTX-like domain | | 分子名称: | Adhesion G-protein coupled receptor G4, MAGNESIUM ION | | 著者 | Kieslich, B, Straeter, N. | | 登録日 | 2022-09-21 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | The dimerized pentraxin-like domain of the adhesion G protein-coupled receptor 112 (ADGRG4) suggests function in sensing mechanical forces.
J.Biol.Chem., 299, 2023
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3K7V
 | | Protein phosphatase 2A core complex bound to dinophysistoxin-1 | | 分子名称: | (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ... | | 著者 | Jeffrey, P.D, Huhn, J, Shi, Y. | | 登録日 | 2009-10-13 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | A structural basis for the reduced toxicity of dinophysistoxin-2.
Chem.Res.Toxicol., 22, 2009
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1AY3
 | | Nodularin from Nodularia spumigena | | 分子名称: | PEPTIDIC TOXIN NODULARIN | | 著者 | Annila, A.J. | | 登録日 | 1997-11-14 | | 公開日 | 1999-08-16 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of nodularin. An inhibitor of serine/threonine-specific protein phosphatases.
J.Biol.Chem., 271, 1996
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1MPA
 | | BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | | 分子名称: | CADMIUM ION, MN12H2 IGG2A-KAPPA, PORA P1.16 PEPTIDE FLUORESCEIN CONJUGATE | | 著者 | Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P. | | 登録日 | 1997-02-26 | | 公開日 | 1997-09-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide.
Proteins, 29, 1997
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8S7F
 | | Crystal structure of Escherichia coli LpxH in complex with EBL-2805 | | 分子名称: | MANGANESE (II) ION, N-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, UDP-2,3-diacylglucosamine hydrolase | | 著者 | Sooriyaarachchi, S, Mowbray, S.L, Bergfors, T, Jones, T.A. | | 登録日 | 2024-03-01 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors.
Eur.J.Med.Chem., 278, 2024
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1HBK
 | | Acyl-CoA binding protein from Plasmodium falciparum | | 分子名称: | ACYL-COA BINDING PROTEIN, COENZYME A, MYRISTIC ACID, ... | | 著者 | van Aalten, D.M.F. | | 登録日 | 2001-04-16 | | 公開日 | 2001-05-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein.
J. Mol. Biol., 309, 2001
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1Z1L
 | | The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain | | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ... | | 著者 | Ding, Y.H, Kohls, D, Low, C. | | 登録日 | 2005-03-04 | | 公開日 | 2005-06-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System.
Biochemistry, 44, 2005
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2JNW
 | | Solution structure of a ERCC1-XPA heterodimer | | 分子名称: | DNA excision repair protein ERCC-1, DNA-repair protein complementing XP-A cells | | 著者 | Tsodikov, O.V, Ivanov, D, Orelli, B, Staresincic, L, Scharer, O.D, Wagner, G. | | 登録日 | 2007-02-07 | | 公開日 | 2007-10-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for the recruitment of ERCC1-XPF to nucleotide excision repair complexes by XPA
Embo J., 26, 2007
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3VP2
 | | Crystal structure of human glutaminase in complex with inhibitor 2 | | 分子名称: | 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ... | | 著者 | Thangavelu, K, Sivaraman, J. | | 登録日 | 2012-02-23 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3VOZ
 | | Crystal structure of human glutaminase in complex with BPTES | | 分子名称: | Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | | 著者 | Thangavelu, K, Sivaraman, J. | | 登録日 | 2012-02-23 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2MPA
 | | BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | | 分子名称: | CADMIUM ION, CONJUGATE OF PORA P1.16 PEPTIDE WITH FLUORESCEIN, MN12H2 IGG2A-KAPPA, ... | | 著者 | Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P. | | 登録日 | 1999-06-09 | | 公開日 | 1999-06-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide.
Proteins, 29, 1997
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3VOY
 | | Crystal structure of human glutaminase in apo form | | 分子名称: | Glutaminase kidney isoform, mitochondrial, SULFATE ION | | 著者 | Thangavelu, K, Sivaraman, J. | | 登録日 | 2012-02-23 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3VP3
 | | Crystal structure of human glutaminase in complex with inhibitor 3 | | 分子名称: | 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ... | | 著者 | Thangavelu, K, Sivaraman, J. | | 登録日 | 2012-02-23 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3VP4
 | | Crystal structure of human glutaminase in complex with inhibitor 4 | | 分子名称: | 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial | | 著者 | Thangavelu, K, Sivaraman, J. | | 登録日 | 2012-02-23 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6RJ3
 | | Crystal structure of PHGDH in complex with compound 15 | | 分子名称: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | | 登録日 | 2019-04-26 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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