PDB: 12203 件ウェブページステータス検索Chemie searchBIRD

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8VR9	Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate 分子名称: AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ... 著者 Maso, L, Bang, I, Koide, S. 登録日 2024-01-20 公開日 2024-09-04 最終更新日 2024-10-09 実験手法 ELECTRON MICROSCOPY (3.06 Å) 主引用文献 Molecular basis for antibody recognition of multiple drug-peptide/MHC complexes. Proc.Natl.Acad.Sci.USA, 121, 2024
8XGB	Crystal structure of human secretory glutaminyl cyclase in complex with (S)-1-(1H-benzo[d]imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one 分子名称: (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION 著者 Li, G.-B, Wang, X.-Y. 登録日 2023-12-15 公開日 2024-06-12 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (3.24 Å) 主引用文献 X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model. J.Med.Chem., 67, 2024
8VRA	Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate 分子名称: AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ... 著者 Maso, L, Bang, I, Koide, S. 登録日 2024-01-20 公開日 2024-09-04 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (3.12 Å) 主引用文献 Molecular basis for antibody recognition of multiple drug-peptide/MHC complexes. Proc.Natl.Acad.Sci.USA, 121, 2024
8XGY	Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one 分子名称: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION 著者 Li, G.-B, Wang, X.-Y. 登録日 2023-12-16 公開日 2024-06-12 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model. J.Med.Chem., 67, 2024
8XGT	Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one 分子名称: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION 著者 Li, G.-B, Wang, X.-Y. 登録日 2023-12-15 公開日 2024-06-12 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.813 Å) 主引用文献 X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model. J.Med.Chem., 67, 2024
8XFV	Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one 分子名称: 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION 著者 Li, G.-B, Wang, X.-Y. 登録日 2023-12-14 公開日 2024-06-12 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (3.13 Å) 主引用文献 X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model. J.Med.Chem., 67, 2024
8XGA	Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one 分子名称: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION 著者 Li, G.-B, Wang, X.-Y. 登録日 2023-12-15 公開日 2024-06-12 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (3.537 Å) 主引用文献 X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model. J.Med.Chem., 67, 2024
7PP9	Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide 分子名称: Carbonic anhydrase 12, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate 著者 Leitans, J, Tars, K, Dvinskis, E. 登録日 2021-09-13 公開日 2022-09-21 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
4FYO	Crystal structure of spleen tyrosine kinase complexed with N-{(S)-1-[7-(3,4-Dimethoxy-phenylamino)-thiazolo[5,4-d]pyrimidin-5-yl]-pyrrolidin-3-yl}-terephthalamic acid 分子名称: 4-{[(3S)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid, Tyrosine-protein kinase SYK 著者 Kuglstatter, A, Slade, M. 登録日 2012-07-05 公開日 2013-01-30 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Rational design of highly selective spleen tyrosine kinase inhibitors. J.Med.Chem., 55, 2012
6QTJ	Crystal structure of human CDK8/CYCC in complex with BI 919811 分子名称: Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide 著者 Boettcher, J. 登録日 2019-02-25 公開日 2020-03-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
4FZ6	Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine 分子名称: N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine, Tyrosine-protein kinase SYK 著者 Kuglstatter, A, Slade, M. 登録日 2012-07-06 公開日 2013-01-30 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Rational design of highly selective spleen tyrosine kinase inhibitors. J.Med.Chem., 55, 2012
7VCN	Crystal Structure of PitA fragment from pilus islet-2 of Streptococcus oralis with Tb-Xo4 分子名称: TERBIUM(III) ION, Tb-Xo4, von Willebrand factor type A domain protein 著者 Yadav, R.K, Krishnan, V. 登録日 2021-09-03 公開日 2022-07-13 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.343 Å) 主引用文献 New structural insights into the PI-2 pilus from Streptococcus oralis, an early dental plaque colonizer. Febs J., 289, 2022
7VOK	The Crystal structure of EF-Tu and GDP from Mycobacterium tuberculosis 分子名称: Elongation factor Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Zhan, B.W, Li, J.X. 登録日 2021-10-14 公開日 2022-10-19 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Structural insights of the elongation factor EF-Tu complexes in protein translation of Mycobacterium tuberculosis. Commun Biol, 5, 2022
7KKW	Neutron structure of Reduced Human MnSOD 分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial, ... 著者 Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. 登録日 2020-10-28 公開日 2021-04-21 最終更新日 2024-04-10 実験手法 NEUTRON DIFFRACTION (2.3 Å) 主引用文献 Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
7QI6	Human mitochondrial ribosome in complex with mRNA, A/P- and P/E-tRNAs at 2.98 A resolution 分子名称: 1,4-DIAMINOBUTANE, 12S mitochondrial rRNA, 16S mitochondrial rRNA, ... 著者 Singh, V, Itoh, Y, Amunts, A. 登録日 2021-12-14 公開日 2023-05-17 最終更新日 2024-07-31 実験手法 ELECTRON MICROSCOPY (2.98 Å) 主引用文献 Mitoribosome structure with cofactors and modifications reveals mechanism of ligand binding and interactions with L1 stalk. Nat Commun, 15, 2024
7QI5	Human mitochondrial ribosome in complex with mRNA, A/A-, P/P- and E/E-tRNAs at 2.63 A resolution 分子名称: 1,4-DIAMINOBUTANE, 12S mitochondrial rRNA, 16S mitochondrial rRNA, ... 著者 Singh, V, Itoh, Y, Amunts, A. 登録日 2021-12-14 公開日 2023-07-05 最終更新日 2024-07-31 実験手法 ELECTRON MICROSCOPY (2.63 Å) 主引用文献 Mitoribosome structure with cofactors and modifications reveals mechanism of ligand binding and interactions with L1 stalk. Nat Commun, 15, 2024
4FYN	Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol 分子名称: 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol, Tyrosine-protein kinase SYK 著者 Kuglstatter, A, Villasenor, A.G. 登録日 2012-07-05 公開日 2013-01-30 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.318 Å) 主引用文献 Rational design of highly selective spleen tyrosine kinase inhibitors. J.Med.Chem., 55, 2012
6LD0	Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-hexyl uronic isofagomine 分子名称: (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase 著者 Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. 登録日 2019-11-20 公開日 2021-01-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.901 Å) 主引用文献 Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
7Q8V	Crystal structure of TTBK1 in complex with VNG2.73 (compound 42) 分子名称: PHOSPHATE ION, Tau-tubulin kinase 1, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine 著者 Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-11-11 公開日 2022-03-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
7Q8Y	Crystal structure of TTBK2 in complex with VNG2.73 (compound 42) 分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine 著者 Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-11-11 公開日 2022-03-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
7Q8Z	Crystal structure of TTBK2 in complex with VNG1.33 (compound 27) 分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine 著者 Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-11-11 公開日 2022-03-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
7WKV	Crystal structure of human ALKBH5 in complex with 2-oxoglutarate (2OG) and m6A-containing ssRNA 分子名称: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... 著者 Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. 登録日 2022-01-11 公開日 2022-03-30 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes. Nucleic Acids Res., 50, 2022
7WCT	Crystal structure of FGFR4 kinase domain with 7v 分子名称: Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... 著者 Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. 登録日 2021-12-20 公開日 2022-03-30 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.106 Å) 主引用文献 Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
7WCW	Crystal structure of FGFR4(V550L) kinase domain with 7v 分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide 著者 Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. 登録日 2021-12-20 公開日 2022-03-30 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.317 Å) 主引用文献 Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
7WCX	Crystal structure of FGFR4(V550M) kinase domain with 7v 分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide 著者 Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. 登録日 2021-12-20 公開日 2022-03-30 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.175 Å) 主引用文献 Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022

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