3R04
 
 | | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | | 分子名称: | 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | | 著者 | Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R. | | 登録日 | 2011-03-07 | | 公開日 | 2011-05-11 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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3R02
 | | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | | 分子名称: | 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | | 著者 | Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R. | | 登録日 | 2011-03-07 | | 公開日 | 2011-05-11 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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7UCX
 | | LRP8 11H1 Fab complexed to a cyclized CR1 peptide | | 分子名称: | 11H1 Fab Heavy chain, 11H1 Fab Light chain, Cyclized CR1 peptide, ... | | 著者 | Argiriadi, M.A, Deng, K, Egan, D, Gao, L, Gizatullin, F, Harlan, J, Karaoglu, D, Qiu, W, Goodearl, A. | | 登録日 | 2022-03-17 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | The use of cyclic peptide antigens to generate LRP8 specific antibodies
Front Drug Discov (Lausanne), 2, 2023
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8GMC
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | | 分子名称: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, SULFATE ION | | 著者 | Muckelbauer, J.K. | | 登録日 | 2023-03-24 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of pyrrolo[2,1- f ][1,2,4]triazine-based inhibitors of adaptor protein 2-associated kinase 1 for the treatment of pain.
Med.Chem.Res., 2023
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8GMD
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol | | 分子名称: | (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol, AP2-associated protein kinase 1, SULFATE ION | | 著者 | Muckelbauer, J.K. | | 登録日 | 2023-03-24 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of pyrrolo[2,1- f ][1,2,4]triazine-based inhibitors of adaptor protein 2-associated kinase 1 for the treatment of pain.
Med.Chem.Res., 2023
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6WVX
 | | Crystal structure of the first bromodomain of human BRD4 with benzodiazepine inhibitor | | 分子名称: | 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine], Bromodomain-containing protein 4 | | 著者 | Eron, S.J. | | 登録日 | 2020-05-07 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural Characterization of Degrader-Induced Ternary Complexes Using Hydrogen-Deuterium Exchange Mass Spectrometry and Computational Modeling: Implications for Structure-Based Design.
Acs Chem.Biol., 16, 2021
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3R00
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3R01
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280D
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8EQN
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4JIB
 | | Crystal structure of of PDE2-inhibitor complex | | 分子名称: | 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Pandit, J. | | 登録日 | 2013-03-05 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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8T6E
 | | Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | | 分子名称: | T33-28.3: A, T33-28.3: B | | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | | 登録日 | 2023-06-15 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8T6C
 | | Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | | 分子名称: | T33-18.2 : A, T33-18.2 : B | | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | | 登録日 | 2023-06-15 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8T6N
 | | Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | | 分子名称: | T33-27.1 : A, T33-27.1 : B | | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | | 登録日 | 2023-06-16 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.63 Å) | | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
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