7P8F
| Crystal structure of YTHDC1 with compound YLI_DC1_008 | 分子名称: | SULFATE ION, YTH domain-containing protein 1, ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | 著者 | Bedi, R.K, Li, Y, Caflisch, A. | 登録日 | 2021-07-21 | 公開日 | 2021-10-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6RT5
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6RT4
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6RT6
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6RT7
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5EBZ
| Crystal structure of human IKK1 | 分子名称: | 2,3-di-O-sulfo-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-2,4-di-O-sulfo-alpha-D-glucopyranose, 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide, Inhibitor of nuclear factor kappa-B kinase subunit alpha, ... | 著者 | Polley, S, Passos, D, Huang, D, Biswas, T, Verma, I, Lyumkis, D, Ghosh, G. | 登録日 | 2015-10-20 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | 主引用文献 | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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5TQW
| CryoEM reconstruction of human IKK1, open conformation 1 | 分子名称: | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 著者 | Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O. | 登録日 | 2016-10-24 | 公開日 | 2016-11-09 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (5.6 Å) | 主引用文献 | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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5TQY
| CryoEM reconstruction of human IKK1, closed conformation 3 | 分子名称: | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 著者 | Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O. | 登録日 | 2016-10-24 | 公開日 | 2016-11-09 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (5.2 Å) | 主引用文献 | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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5TQX
| CryoEM reconstruction of human IKK1, intermediate conformation 2 | 分子名称: | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 著者 | Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O. | 登録日 | 2016-10-24 | 公開日 | 2016-11-09 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (5.4 Å) | 主引用文献 | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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3ZBF
| Structure of Human ROS1 Kinase Domain in Complex with Crizotinib | 分子名称: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | 登録日 | 2012-11-08 | 公開日 | 2013-06-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1 N.Engl.J.Med., 368, 2013
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2MUS
| HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | 分子名称: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | 著者 | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | 登録日 | 2014-09-16 | 公開日 | 2017-02-01 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure-based drug design identifies polythiophenes as antiprion compounds. Sci Transl Med, 7, 2015
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7NAB
| Crystal structure of human neutralizing mAb CV3-25 binding to SARS-CoV-2 S MPER peptide 1140-1165 | 分子名称: | CITRIC ACID, CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, ... | 著者 | Chen, Y, Tolbert, W.D, Pazgier, M. | 登録日 | 2021-06-21 | 公開日 | 2021-12-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern. Cell Rep, 38, 2022
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8PW8
| Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA2) | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | 登録日 | 2023-07-19 | 公開日 | 2023-11-08 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The catalytic mechanism of the RNA methyltransferase METTL3. Elife, 12, 2024
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8PWA
| Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA4) | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, ACETATE ION, MAGNESIUM ION, ... | 著者 | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | 登録日 | 2023-07-19 | 公開日 | 2023-11-08 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The catalytic mechanism of the RNA methyltransferase METTL3. Elife, 12, 2024
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8PWB
| Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA6) | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | 登録日 | 2023-07-19 | 公開日 | 2023-11-08 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The catalytic mechanism of the RNA methyltransferase METTL3. Elife, 12, 2024
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8PW9
| Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA1) | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol, ACETATE ION, MAGNESIUM ION, ... | 著者 | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | 登録日 | 2023-07-19 | 公開日 | 2023-11-08 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The catalytic mechanism of the RNA methyltransferase METTL3. Elife, 12, 2024
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2BEU
| Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-11-30 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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2BEW
| Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-11-30 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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2BFC
| Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-12-06 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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2BFE
| Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-12-06 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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2BFD
| Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-12-06 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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2BFF
| Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-12-06 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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6ORR
| Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1 | 分子名称: | 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine, GLYCEROL, NNMT protein | 著者 | May, E.J, Policarpo, R.L, Gaudet, R. | 登録日 | 2019-04-30 | 公開日 | 2019-10-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | High-Affinity Alkynyl Bisubstrate Inhibitors of NicotinamideN-Methyltransferase (NNMT). J.Med.Chem., 62, 2019
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7AXC
| Crystal structure of the hPXR-LBD in complex with ferutinine | 分子名称: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | 著者 | Granell, M, Delfosse, V, Bourguet, W. | 登録日 | 2020-11-09 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXJ
| Crystal structure of the hPXR-LBD in complex with estradiol and clotrimazole | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2 | 著者 | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | 登録日 | 2020-11-09 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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