PDB: 47038 件ウェブページステータス検索Chemie searchBIRD

---

8DJ6	Sliding-clamp-ImuB peptide 分子名称: ACETATE ION, Beta sliding clamp, FORMIC ACID, ... 著者 Kapur, M.K, Gray, O.J, Honzatko, R.H, Nelson, S.N. 登録日 2022-06-30 公開日 2023-07-26 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Interaction of sliding clamp with mycobacterial polymerases To Be Published
4ALW	Benzofuropyrimidinone Inhibitors of Pim-1 分子名称: 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE 著者 Stout, T.J, Adams, L. 登録日 2012-03-05 公開日 2013-01-16 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
7MXN	PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999 分子名称: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 著者 McTigue, M, Deng, Y.L, Liu, W, Brooun, A. 登録日 2021-05-19 公開日 2021-11-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
7MX7	PRMT5:MEP50 complexed with inhibitor PF-06939999 分子名称: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 著者 McTigue, M, Deng, Y.L, Liu, W, Brooun, A. 登録日 2021-05-18 公開日 2021-11-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
5NHF	Human Erk2 with an Erk1/2 inhibitor 分子名称: 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. 登録日 2017-03-21 公開日 2017-04-19 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
7MXC	PRMT5:MEP50 complexed with adenosine 分子名称: ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5 著者 McTigue, M, Deng, Y.L, Liu, W, Brooun, A. 登録日 2021-05-18 公開日 2021-11-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
5NHJ	Human Erk2 with an Erk1/2 inhibitor 分子名称: 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. 登録日 2017-03-21 公開日 2017-04-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
5NHP	Human Erk2 with an Erk1/2 inhibitor 分子名称: 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. 登録日 2017-03-22 公開日 2017-04-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
7MXA	PRMT5:MEP50 complexed with inhibitor PF-06855800 分子名称: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 著者 McTigue, M, Deng, Y.L, Liu, W, Brooun, A. 登録日 2021-05-18 公開日 2021-11-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.713 Å) 主引用文献 SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
5NJ1	The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and arsenoplatin-1 分子名称: 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ... 著者 Ferraro, G, Merlino, A. 登録日 2017-03-27 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Arsenoplatin-1 Is a Dual Pharmacophore Anticancer Agent. J.Am.Chem.Soc., 141, 2019
7MXG	PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800 分子名称: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 著者 McTigue, M, Deng, Y.L, Liu, W, Brooun, A. 登録日 2021-05-19 公開日 2021-11-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.395 Å) 主引用文献 SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
4ALU	Benzofuropyrimidinone Inhibitors of Pim-1 分子名称: 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 著者 Stout, T.J, Adams, L. 登録日 2012-03-05 公開日 2013-01-16 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
6V80	Crystal structure of human CD1d presenting alpha-Galactosylceramide in complex with NKT12 TCR and VHH nanobody 1D12 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, Antigen-presenting glycoprotein CD1d, ... 著者 Shahine, A, Rossjohn, J. 登録日 2019-12-10 公開日 2020-09-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (3.53 Å) 主引用文献 A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response. Nat Cancer, 2020
6UXX	PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a 分子名称: (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5 著者 Palte, R.L, Schneider, S.E. 登録日 2019-11-08 公開日 2020-08-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). Acs Med.Chem.Lett., 11, 2020
6V0P	PRMT5 complex bound to covalent PBM inhibitor BRD6711 分子名称: 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide, CHLORIDE ION, GLYCEROL, ... 著者 McMillan, B.J, McKinney, D.C. 登録日 2019-11-19 公開日 2020-11-25 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction. J.Med.Chem., 64, 2021
4A7C	Crystal structure of PIM1 kinase with ETP46546 分子名称: ACETATE ION, IMIDAZOLE, N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... 著者 Mazzorana, M, Montoya, G. 登録日 2011-11-12 公開日 2012-02-15 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Hit to Lead Evaluation of 1,2,3-Triazolo[4,5-B]Pyridines as Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
6YSE	Gp4 from the Pseudomonas phage LUZ24 分子名称: Gp4 著者 Bdira, F.B, Volkov, A.N, Dame, R.T. 登録日 2020-04-22 公開日 2021-05-12 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Novel anti-repression mechanism of H-NS proteins by a phage protein. Nucleic Acids Res., 49, 2021
5NDJ	Crystal structure of aminoglycoside TC007 in complex with 70S ribosome from Thermus thermophilus, three tRNAs and mRNA (soaking) 分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... 著者 Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. 登録日 2017-03-08 公開日 2018-05-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Aminoglycoside interactions and impacts on the eukaryotic ribosome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8VEY	Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908 分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... 著者 Whittington, D.A. 登録日 2023-12-20 公開日 2024-04-24 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
8VEU	Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23 分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... 著者 Whittington, D.A. 登録日 2023-12-20 公開日 2024-04-24 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
8VET	Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1 分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... 著者 Whittington, D.A. 登録日 2023-12-20 公開日 2024-04-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
6VZ9	Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate 分子名称: (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ... 著者 Campbell, A.C, Tanner, J.J. 登録日 2020-02-28 公開日 2020-03-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate. Acs Chem.Biol., 15, 2020
8VEX	Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28 分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ... 著者 Whittington, D.A. 登録日 2023-12-20 公開日 2024-04-24 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
8VEO	Crystal structure of PRMT5:MEP50 in complex with MTA 分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ... 著者 Whittington, D.A. 登録日 2023-12-20 公開日 2024-04-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
5NDK	Crystal structure of aminoglycoside TC007 co-crystallized with 70S ribosome from Thermus thermophilus, three tRNAs and mRNA 分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... 著者 Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. 登録日 2017-03-08 公開日 2017-12-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Aminoglycoside interactions and impacts on the eukaryotic ribosome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

<981982983984985986987988989990991992993994995996>