8URV
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5GNK
| Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | 分子名称: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ... | 著者 | Yan, X.E, Yun, C.H. | 登録日 | 2016-07-21 | 公開日 | 2017-04-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | 主引用文献 | Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode. J. Med. Chem., 60, 2017
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5GTY
| Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 | 分子名称: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor | 著者 | Yan, X.E, Yun, C.H. | 登録日 | 2016-08-23 | 公開日 | 2017-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | 主引用文献 | Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode. Oncotarget, 8, 2017
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5KCV
| Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1 | 分子名称: | 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase | 著者 | Eathiraj, S. | 登録日 | 2016-06-07 | 公開日 | 2016-06-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor. J.Med.Chem., 59, 2016
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4QXG
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6HE6
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4JHC
| Crystal structure of the uncharacterized Maf protein YceF from E. coli | 分子名称: | GLYCEROL, Maf-like protein YceF, UNKNOWN ATOM OR ION | 著者 | Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A. | 登録日 | 2013-03-04 | 公開日 | 2013-03-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides. Chem.Biol., 20, 2013
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4FDL
| Crystal structure of Caspase-7 | 分子名称: | Caspase-7 | 著者 | Kabaleeswaran, V. | 登録日 | 2012-05-28 | 公開日 | 2012-08-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | 主引用文献 | A class of allosteric caspase inhibitors identified by high-throughput screening. Mol.Cell, 47, 2012
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7VSW
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7VSU
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6HEE
| Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with undecyl-maltoside | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsX, SULFATE ION, ... | 著者 | Martinez-Caballero, S, Alcorlo-Pages, M, Hermoso, J.A. | 登録日 | 2018-08-20 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae. Mbio, 10, 2019
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6HFX
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4FEA
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4CKR
| Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | 著者 | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2014-01-07 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor. Acs Chem.Biol., 8, 2013
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8FK4
| Structure of the catalytic domain of Streptococcus mutans GtfB complexed to acarbose in orthorhombic space group P21212 | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, Glucosyltransferase-I, ... | 著者 | Schormann, N, Deivanayagam, C. | 登録日 | 2022-12-20 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis. Acta Crystallogr.,Sect.F, 79, 2023
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8FJ9
| Structure of the catalytic domain of Streptococcus mutans GtfB in tetragonal space group P4322 | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Schormann, N, Deivanayagam, C. | 登録日 | 2022-12-19 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis. Acta Crystallogr.,Sect.F, 79, 2023
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8FJC
| Structure of the catalytic domain of Streptococcus mutans GtfB complexed to acarbose in tetragonal space group P4322 | 分子名称: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, ... | 著者 | Schormann, N, Deivanayagam, C. | 登録日 | 2022-12-19 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis. Acta Crystallogr.,Sect.F, 79, 2023
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8FKL
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8FN5
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8DDD
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8DDC
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8DPX
| Preligand association structure of DR5 | 分子名称: | Tumor necrosis factor receptor superfamily member 10B | 著者 | Du, G, Zhao, L, Chou, J.J. | 登録日 | 2022-07-17 | 公開日 | 2023-02-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation. Cell Res., 33, 2023
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3BX5
| P38 alpha map kinase complexed with BMS-640994 | 分子名称: | Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide | 著者 | Sack, J.S. | 登録日 | 2008-01-11 | 公開日 | 2008-04-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor Bioorg.Med.Chem.Lett., 18, 2008
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7L0O
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4ZNO
| Crystal structure of Dln1 complexed with sucrose | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Natterin-like protein, ... | 著者 | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | 登録日 | 2015-05-05 | 公開日 | 2016-01-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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