5GSA
| EED in complex with an allosteric PRC2 inhibitor | 分子名称: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-08-15 | 公開日 | 2017-02-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of Nat. Chem. Biol., 13, 2017
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8ER6
| FKBP12-FRB in Complex with Compound 11 | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | 著者 | Tomlinson, A.C.A, Yano, J.K. | 登録日 | 2022-10-11 | 公開日 | 2022-12-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8ER7
| FKBP12-FRB in Complex with Compound 12 | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | 著者 | Tomlinson, A.C.A, Yano, J.K. | 登録日 | 2022-10-11 | 公開日 | 2022-12-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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7YG3
| Crystal structure of HLA-B*13:01 | 分子名称: | ARG-GLN-ASP-ILE-LEU-ASP-LEU-TRP-ILE, Beta-2-microglobulin, MHC class I antigen | 著者 | Wang, H.S, Ouyang, S.Y. | 登録日 | 2022-07-11 | 公開日 | 2023-07-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Functional and structural characteristics of HLA-B*13:01-mediated specific T cells reaction in dapsone-induced drug hypersensitivity. J.Biomed.Sci., 29, 2022
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6J6M
| Co-crystal structure of BTK kinase domain with Zanubrutinib | 分子名称: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | 著者 | Zhou, X, Hong, Y. | 登録日 | 2019-01-15 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 62, 2019
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6VJT
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5GTR
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5GS4
| Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist | 分子名称: | ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ... | 著者 | Xie, M, Wang, T, Li, Z.-G. | 登録日 | 2016-08-13 | 公開日 | 2017-08-30 | 最終更新日 | 2018-07-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides J. Med. Chem., 60, 2017
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6O2Y
| Crystal structure of IDH1 R132H mutant in complex with compound 24 | 分子名称: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | 著者 | Toms, A.V, Lin, J. | 登録日 | 2019-02-25 | 公開日 | 2019-06-26 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J.Med.Chem., 62, 2019
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8HI5
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8HI4
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8HI6
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7CU5
| N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Programmed cell death protein 1, ... | 著者 | Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F. | 登録日 | 2020-08-21 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | N-glycosylation of PD-1 promotes binding of camrelizumab. Embo Rep., 21, 2020
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6P3P
| Crystal structure of Mcl-1 in complex with compound 65 | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | 著者 | Toms, A.V, Follows, B. | 登録日 | 2019-05-24 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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8FHS
| Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Gao, S, Yao, X, Yan, N. | 登録日 | 2022-12-15 | 公開日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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6ORP
| Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab897NHP | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab897NHP antibody Fab heavy chain, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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6ORN
| Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch bNAb 10-1074 | 分子名称: | 10-1074 antibody Fab heavy chain, 10-1074 antibody Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.05 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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6ORO
| Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab874NHP | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab874NHP antibody Fab heavy chain, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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6ORQ
| Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab275MUR | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab275MUR antibody Fab heavy chain, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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7BY7
| Bacteriophage SPO1 protein Gp46 | 分子名称: | Putative gene 46 protein | 著者 | Liu, B, Zhang, P. | 登録日 | 2020-04-22 | 公開日 | 2021-04-28 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Bacteriophage protein Gp46 is a cross-species inhibitor of nucleoid-associated HU proteins Proc.Natl.Acad.Sci.USA, 119, 2022
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7CKF
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6XP9
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4WQ6
| The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21) | 分子名称: | 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Li, D, Wang, W. | 登録日 | 2014-10-21 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. Bioorg.Med.Chem.Lett., 25, 2015
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4EJS
| Structure of yeast elongator subcomplex Elp456 | 分子名称: | Elongator complex protein 4, Elongator complex protein 5, Elongator complex protein 6 | 著者 | Lin, Z, Zhao, W, Long, J, Shen, Y. | 登録日 | 2012-04-07 | 公開日 | 2012-05-02 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.606 Å) | 主引用文献 | Crystal structure of elongator subcomplex Elp4-6 J.Biol.Chem., 287, 2012
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7R8N
| Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C051 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C051 Fab Heavy Chain, ... | 著者 | Barnes, C.O, Bjorkman, P.J. | 登録日 | 2021-06-26 | 公開日 | 2021-08-04 | 最終更新日 | 2021-10-06 | 実験手法 | ELECTRON MICROSCOPY (3.55 Å) | 主引用文献 | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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