7DSO
 
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7DSR
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7DSP
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9ERY
 | | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | | 分子名称: | 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION | | 著者 | Plewka, J, Magiera-Mularz, K, Zhang, W. | | 登録日 | 2024-03-25 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors.
Eur.J.Med.Chem., 276, 2024
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4U0I
 | | Crystal structure of KIT in complex with ponatinib | | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, PHOSPHATE ION | | 著者 | Zhou, T, Zhu, X, Dalgarno, D.C. | | 登録日 | 2014-07-11 | | 公開日 | 2014-10-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ponatinib Inhibits Polyclonal Drug-Resistant KIT Oncoproteins and Shows Therapeutic Potential in Heavily Pretreated Gastrointestinal Stromal Tumor (GIST) Patients.
Clin.Cancer Res., 20, 2014
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4ZN9
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) | | 分子名称: | Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-05-04 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.215 Å) | | 主引用文献 | Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands.
Chemmedchem, 7, 2012
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8AM0
 | | Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | | 分子名称: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Goncalves, M, Johnson, J.L, Roewer, K.M. | | 登録日 | 2022-08-02 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.818 Å) | | 主引用文献 | Epinephrine inhibits PI3K alpha via the Hippo kinases.
Cell Rep, 42, 2023
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6XKI
 | | Crystal structure of eIF4A-I in complex with RNA bound to des-MePateA, a pateamine A analog | | 分子名称: | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ... | | 著者 | Liang, J, Naineni, S.K, Pelletier, J, Nagar, B. | | 登録日 | 2020-06-26 | | 公開日 | 2021-01-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A.
Cell Chem Biol, 28, 2021
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4Y2I
 | | Gold ion bound to GolB | | 分子名称: | GOLD ION, Putative metal-binding transport protein | | 著者 | Wei, W, Wang, F, Ma, L, Zhao, J. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
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4Y2K
 | | reduced form of apo-GolB | | 分子名称: | Putative metal-binding transport protein | | 著者 | Wei, W, Wang, F, Ma, L, Zhao, J. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
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4Y2M
 | | apo-GolB protein | | 分子名称: | GOLD ION, Putative metal-binding transport protein | | 著者 | Wei, W, Zhao, J, Wang, F. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
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6R2M
 | | Crystal structure of PssZ from Listeria monocytogenes | | 分子名称: | Glycoside transferase | | 著者 | Wu, H, Cheng, J, Qiao, S, Li, D, Ma, L. | | 登録日 | 2019-03-18 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.617 Å) | | 主引用文献 | Crystal structure of the glycoside hydrolase PssZ from Listeria monocytogenes.
Acta Crystallogr.,Sect.F, 75, 2019
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8HN6
 | | Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | | 分子名称: | Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1 | | 著者 | Qi, J, Chen, Y. | | 登録日 | 2022-12-07 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-06-07 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
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8HN7
 | | Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ... | | 著者 | Qi, J, Chen, Y. | | 登録日 | 2022-12-07 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-06-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
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6JQ9
 | | Crystal structure of a lyase from Alteromonas sp. | | 分子名称: | CALCIUM ION, SULFATE ION, Short ulvan lyase | | 著者 | Qin, H.M, Guo, Q.Q. | | 登録日 | 2019-03-29 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Biochemical characterization and structural analysis of ulvan lyase from marine Alteromonas sp. reveals the basis for its salt tolerance.
Int.J.Biol.Macromol., 147, 2020
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8X1N
 | | Cryo-EM structure of human alpha-fetoprotein | | 分子名称: | Alpha-fetoprotein, PALMITIC ACID, ZINC ION, ... | | 著者 | Liu, Z.M, Li, M.S, Wu, C, Liu, K. | | 登録日 | 2023-11-08 | | 公開日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Structural characteristics of alpha-fetoprotein, including N-glycosylation, metal ion and fatty acid binding sites.
Commun Biol, 7, 2024
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7YFK
 | | The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin | | 分子名称: | Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 | | 著者 | Xia, Y, Yao, D, Huang, C, Cao, Y. | | 登録日 | 2022-07-08 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions.
Nat Commun, 14, 2023
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5WE8
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5WDY
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7FCP
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7FCQ
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6IUP
 | | Crystal structure of FGFR4 kinase domain in complex with compound 5 | | 分子名称: | DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide | | 著者 | Xu, Y, Liu, Q. | | 登録日 | 2018-11-29 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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6IUO
 | | Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | | 分子名称: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | | 著者 | Xu, Y, Liu, Q. | | 登録日 | 2018-11-29 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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6ITJ
 | | Crystal structure of FGFR1 kinase domain in complex with compound 3 | | 分子名称: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | | 著者 | Xu, Y, Liu, Q. | | 登録日 | 2018-11-23 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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2QBS
 | | Crystal structure of ptp1b-inhibitor complex | | 分子名称: | 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Xu, W. | | 登録日 | 2007-06-18 | | 公開日 | 2008-03-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
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