4U44
| MAP4K4 in complex with inhibitor (compound 16) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U43
| MAP4K4 in complex with inhibitor (compound 6) | 分子名称: | Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U45
| MAP4K4 in complex with inhibitor (compound 25) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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5W5Q
| MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide) | 分子名称: | (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4 | 著者 | Harris, S.F, Wu, P. | 登録日 | 2017-06-15 | 公開日 | 2018-06-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1). Acs Med.Chem.Lett., 10, 2019
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7SI1
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3R1G
| Structure Basis of Allosteric Inhibition of BACE1 by an Exosite-Binding Antibody | 分子名称: | Beta-secretase 1, FAB of YW412.8.31 antibody heavy chain, FAB of YW412.8.31 antibody light chain | 著者 | Wang, W, Rouge, L, Wu, P, Chiu, C, Chen, Y, Wu, Y, Watts, R.J. | 登録日 | 2011-03-10 | 公開日 | 2011-06-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A Therapeutic Antibody Targeting BACE1 Inhibits Amyloid-{beta} Production in Vivo. Sci Transl Med, 3, 2011
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2LKZ
| Solution structure of the second RRM domain of RBM5 | 分子名称: | RNA-binding protein 5 | 著者 | Song, Z, Wu, P, Zhang, J, Wu, J, Shi, Y. | 登録日 | 2011-10-23 | 公開日 | 2012-08-08 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the second RRM domain of RBM5 and its unusual binding characters for different RNA targets Biochemistry, 2012
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8G4Y
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6AJK
| Crystal structure of TFB1M and h45 in homo sapiens | 分子名称: | Dimethyladenosine transferase 1, mitochondrial, RNA (28-MER) | 著者 | Liu, X, Shen, S, Wu, P, Li, F, Wang, C, Gong, Q, Wu, J, Zhang, H, Shi, Y. | 登録日 | 2018-08-28 | 公開日 | 2019-06-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | 主引用文献 | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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4ZFG
| Dual-specificity Fab 5A12 in complex with Angiopoietin 2 | 分子名称: | Angiopoietin-2, CALCIUM ION, Fragment antigen binding 5A12 heavy chain, ... | 著者 | Harris, S.F, Wu, P. | 登録日 | 2015-04-21 | 公開日 | 2015-07-01 | 最終更新日 | 2015-09-16 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration. J.Biol.Chem., 290, 2015
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4ZFF
| Dual-acting Fab 5A12 in complex with VEGF | 分子名称: | Fragment antigen binding (Fab) 5A12 Heavy chain, Fragment antigen binding (Fab) 5A12 Light chain, SULFATE ION, ... | 著者 | Harris, S.F, Wu, P. | 登録日 | 2015-04-21 | 公開日 | 2015-07-01 | 最終更新日 | 2015-09-16 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration. J.Biol.Chem., 290, 2015
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4ZK5
| MAP4K4 in complex with inhibitor GNE-495 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2015-04-29 | 公開日 | 2015-09-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. Acs Med.Chem.Lett., 6, 2015
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6AAU
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6AAS
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3T6P
| IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization | 分子名称: | Baculoviral IAP repeat-containing protein 2, ZINC ION | 著者 | Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J. | 登録日 | 2011-07-28 | 公開日 | 2011-11-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination. Science, 334, 2011
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5YYS
| Cryo-EM structure of L-fucokinase, GDP-fucose pyrophosphorylase (FKP)in Bacteroides fragilis | 分子名称: | L-fucokinase, L-fucose-1-P guanylyltransferase | 著者 | Wang, J, Hu, H, Liu, Y, Zhou, Q, Wu, P, Yan, N, Wang, H.W, Wu, J.W, Sun, L. | 登録日 | 2017-12-11 | 公開日 | 2018-12-12 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Cryo-EM structure of L-fucokinase/GDP-fucose pyrophosphorylase (FKP) in Bacteroides fragilis. Protein Cell, 10, 2019
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6AAX
| Crystal structure of TFB1M and h45 with SAM in homo sapiens | 分子名称: | DI(HYDROXYETHYL)ETHER, Dimethyladenosine transferase 1, mitochondrial, ... | 著者 | Liu, X, Shen, S, Wu, P, Li, F, Gong, Q, Wu, J, Zhang, H, Shi, Y. | 登録日 | 2018-07-19 | 公開日 | 2019-06-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.994 Å) | 主引用文献 | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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2AQ5
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2B4E
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4OBP
| MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | 著者 | Harris, S.F, Wu, P. | 登録日 | 2014-01-07 | 公開日 | 2014-04-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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4OBO
| MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-01-07 | 公開日 | 2014-04-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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4OBQ
| MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-01-07 | 公開日 | 2014-04-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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4HLE
| Compound 21 (1-alkyl-substituted 1,2,4-triazoles) | 分子名称: | 2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Rouge, L, Wu, P. | 登録日 | 2012-10-16 | 公開日 | 2013-01-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 23, 2013
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4J6I
| Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform | 分子名称: | 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Rouge, L, Wu, P. | 登録日 | 2013-02-11 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform. Bioorg.Med.Chem.Lett., 23, 2013
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4QYE
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