2C0T
 
 | | Src family kinase Hck with bound inhibitor A-641359 | | 分子名称: | CALCIUM ION, N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | 著者 | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | 登録日 | 2005-09-07 | | 公開日 | 2006-09-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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3DL4
 | | Non-Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | | 分子名称: | Acetylcholinesterase, HEXAETHYLENE GLYCOL | | 著者 | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | | 登録日 | 2008-06-26 | | 公開日 | 2008-12-02 | | 最終更新日 | 2021-03-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
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3DL7
 | | Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | | 著者 | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | | 登録日 | 2008-06-26 | | 公開日 | 2008-12-02 | | 最終更新日 | 2021-03-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
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3PFT
 | | Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN From Mycobacterium goodii | | 分子名称: | FLAVIN MONONUCLEOTIDE, Flavin reductase | | 著者 | Li, Q, Xu, P, Ma, C, Gu, L, Liu, X, Zhang, C, Li, N, Su, J, Li, B, Liu, S. | | 登録日 | 2010-10-29 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | The flavin reductase DSZD from a desulfurizing mycobacterium goodii strain: systemic manipulation and investigation based on the crystal structure
To be Published
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6GCW
 | | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | | 分子名称: | 2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION | | 著者 | Yen-Pon, E, Li, B, Acebron-Garcia-de-Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | | 登録日 | 2018-04-19 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
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6GCX
 | | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | | 分子名称: | 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION | | 著者 | Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | | 登録日 | 2018-04-19 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.553 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
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6GCR
 | | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | | 分子名称: | 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1 | | 著者 | Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | | 登録日 | 2018-04-19 | | 公開日 | 2019-05-01 | | 最終更新日 | 2019-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
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2VFX
 | | Structure of the Symmetric Mad2 Dimer | | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, ... | | 著者 | Yang, M, Li, B, Liu, C.-J, Tomchick, D.R, Machius, M, Rizo, J, Yu, H, Luo, X. | | 登録日 | 2007-11-05 | | 公開日 | 2008-03-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Insights Into MAD2 Regulation in the Spindle Checkpoint Revealed by the Crystal Structure of the Symmetric MAD2 Dimer.
Plos Biol., 6, 2008
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6PES
 | | Cryo-EM structure of alpha-synuclein H50Q Wide Fibril | | 分子名称: | Alpha-synuclein | | 著者 | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | | 登録日 | 2019-06-20 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
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6PEO
 | | Cryo-EM structure of alpha-synuclein H50Q Narrow Fibril | | 分子名称: | Alpha-synuclein | | 著者 | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | | 登録日 | 2019-06-20 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
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8BV1
 | | Peptide inhibitor P4 in complex with ASF1 histone chaperone | | 分子名称: | GLYCEROL, Histone chaperone ASF1A, P4 peptide inhibitor of histone chaperone ASF1 | | 著者 | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | 登録日 | 2022-12-01 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.834 Å) | | 主引用文献 | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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6UFR
 | | Structure of recombinantly assembled E46K alpha-synuclein fibrils | | 分子名称: | Alpha-synuclein | | 著者 | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Li, B, Jiang, L. | | 登録日 | 2019-09-24 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | The alpha-synuclein hereditary mutation E46K unlocks a more stable, pathogenic fibril structure.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3R5T
 | | Crystal structure of holo-ViuP | | 分子名称: | (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, 1,2-ETHANEDIOL, ACETIC ACID, ... | | 著者 | Li, N, Zhang, C, Li, B, Liu, X, Huang, Y, Xu, S, Gu, L. | | 登録日 | 2011-03-19 | | 公開日 | 2012-02-08 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Unique iron coordination in iron-chelating molecule vibriobactin helps Vibrio cholerae evade mammalian siderocalin-mediated immune response.
J.Biol.Chem., 287, 2012
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3R5S
 | | Crystal structure of apo-ViuP | | 分子名称: | Ferric vibriobactin ABC transporter, periplasmic ferric vibriobactin-binding protein | | 著者 | Li, N, Zhang, C, Li, B, Liu, X, Huang, Y, Xu, S, Gu, L. | | 登録日 | 2011-03-19 | | 公開日 | 2012-02-08 | | 最終更新日 | 2012-05-30 | | 実験手法 | X-RAY DIFFRACTION (1.791 Å) | | 主引用文献 | Unique iron coordination in iron-chelating molecule vibriobactin helps Vibrio cholerae evade mammalian siderocalin-mediated immune response.
J.Biol.Chem., 287, 2012
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8K4I
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8K5Q
 | | Crystal structure of YajQ STM0435 with c-di-GMP | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), YajQ | | 著者 | Dai, Y, Zhang, M, Wang, W, Li, B. | | 登録日 | 2023-07-23 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | A c-di-GMP binding effector STM0435 modulates flagellar motility and pathogenicity in Salmonella
Virulence, 15, 2024
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2MUS
 | | HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | | 分子名称: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | | 著者 | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | | 登録日 | 2014-09-16 | | 公開日 | 2017-02-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure-based drug design identifies polythiophenes as antiprion compounds.
Sci Transl Med, 7, 2015
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8CJ3
 | | Urea-based foldamer inhibitor c3u_7 chimera in complex with ASF1 histone chaperone | | 分子名称: | Histone chaperone ASF1A, c3u_7 chimera inhibitor of histone chaperone ASF1 | | 著者 | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | 登録日 | 2023-02-11 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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8CJ1
 | | Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone | | 分子名称: | Histone chaperone ASF1A, c3u_3 chimera inhibitor of histone chaperone ASF1 | | 著者 | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | 登録日 | 2023-02-11 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.564 Å) | | 主引用文献 | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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8CJ2
 | | Urea-based foldamer inhibitor c3u_5 chimera in complex with ASF1 histone chaperone | | 分子名称: | GLYCEROL, Histone chaperone ASF1A, SULFATE ION, ... | | 著者 | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | 登録日 | 2023-02-11 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.127 Å) | | 主引用文献 | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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5H5P
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1ZA3
 | | The crystal structure of the YSd1 Fab bound to DR5 | | 分子名称: | Fab-YSd1 heavy chain, Fab-YSd1 light chain, Tumor necrosis factor receptor superfamily member 10B | | 著者 | Fellouse, F.A, Li, B, Compaan, D.M, Peden, A.A, Hymowitz, S.G, Sidhu, S.S. | | 登録日 | 2005-04-05 | | 公開日 | 2005-06-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Molecular recognition by a binary code.
J.Mol.Biol., 348, 2005
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3TKL
 | | Crystal structure of the GTP-bound Rab1a in complex with the coiled-coil domain of LidA from Legionella pneumophila | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, LidA protein, substrate of the Dot/Icm system, ... | | 著者 | Cheng, W, Yin, K, Lu, D, Li, B, Zhu, D, Chen, Y, Zhang, H, Xu, S, Chai, J, Gu, L. | | 登録日 | 2011-08-27 | | 公開日 | 2012-06-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.183 Å) | | 主引用文献 | Structural insights into a unique Legionella pneumophila effector LidA recognizing both GDP and GTP bound Rab1 in their active state
Plos Pathog., 8, 2012
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7DAC
 | | Human RIPK3 amyloid fibril revealed by solid-state NMR | | 分子名称: | Receptor-interacting serine/threonine-protein kinase 3 | | 著者 | Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X. | | 登録日 | 2020-10-16 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4BBQ
 | | Crystal structure of the CXXC and PHD domain of Human Lysine-specific Demethylase 2A (KDM2A)(FBXL11) | | 分子名称: | 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 2A, ZINC ION | | 著者 | Allerston, C.K, Watson, A.A, Edlich, C, Li, B, Chen, Y, Ball, L, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Laue, E.D, Gileadi, O. | | 登録日 | 2012-09-27 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Crystal Structure of the Cxxc and Phd Domain of Human Lysine-Specific Demethylase 2A (Kdm2A)(Fbxl11)
To be Published
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