8TXE
 
 | | Crystal structure of KRAS G12D in complex with GDP and compound 5 | | 分子名称: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TXG
 | | Crystal structure of KRAS G12D in complex with GDP and compound 8 | | 分子名称: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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4KNG
 | | Crystal structure of human LGR5-RSPO1-RNF43 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF43, Leucine-rich repeat-containing G-protein coupled receptor 5, ... | | 著者 | Chen, P.H, He, X. | | 登録日 | 2013-05-09 | | 公開日 | 2013-06-19 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The structural basis of R-spondin recognition by LGR5 and RNF43.
Genes Dev., 27, 2013
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2BV6
 | | Crystal structure of MgrA, a global regulator and major virulence determinant in Staphylococcus aureus | | 分子名称: | HTH-TYPE TRANSCRIPTIONAL REGULATOR MGRA, SULFATE ION | | 著者 | Chen, P.R, Bae, T, Williams, W.A, Duguid, E.M, Rice, P.A, Schneewind, O, He, C. | | 登録日 | 2005-06-22 | | 公開日 | 2006-09-20 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | An Oxidation-Sensing Mechanism is Used by the Global Regulator Mgra in Staphylococcus Aureus.
Nat.Chem.Biol., 2, 2006
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1GRC
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4TUU
 | | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S. | | 登録日 | 2014-06-24 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design.
Protein Sci., 23, 2014
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4TV3
 | | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | | 分子名称: | 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S. | | 登録日 | 2014-06-25 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design.
Protein Sci., 23, 2014
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4F8E
 | | Crystal structure of human PRS1 D52H mutant | | 分子名称: | MAGNESIUM ION, Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | 著者 | Chen, P, Teng, M, Li, X. | | 登録日 | 2012-05-17 | | 公開日 | 2013-05-22 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | A small disturbance, but a serious disease: the possible mechanism of D52H-mutant of human PRS1 that causes gout
Iubmb Life, 65, 2013
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8X7N
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4M0U
 | | crystal structure of human PRS1 Q133P mutant | | 分子名称: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | 著者 | Chen, P, Teng, M, Li, X. | | 登録日 | 2013-08-02 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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6CIP
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7CI1
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7K6M
 | | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | | 分子名称: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | 登録日 | 2020-09-21 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.413 Å) | | 主引用文献 | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K6O
 | | Crystal structure of PI3Kalpha inhibitor 10-5429 | | 分子名称: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | 登録日 | 2020-09-21 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.738 Å) | | 主引用文献 | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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6CIN
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7K71
 | | Crystal structure of PI3Kalpha inhibitor 4-0686 | | 分子名称: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | 登録日 | 2020-09-21 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K6N
 | | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | | 著者 | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | 登録日 | 2020-09-21 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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6CIQ
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6CIO
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6OQ5
 | | Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs | | 分子名称: | 5D, 7F, E3, ... | | 著者 | Chen, P, Lam, K, Jin, R. | | 登録日 | 2019-04-25 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.87 Å) | | 主引用文献 | Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
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5L2W
 | | The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. | | 分子名称: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ... | | 著者 | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | | 登録日 | 2016-08-02 | | 公開日 | 2016-08-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
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7CI2
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6N2O
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6N2N
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8V9I
 | | 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound | | 分子名称: | 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ... | | 著者 | Chen, P.Y.-T, Drennan, C.L. | | 登録日 | 2023-12-08 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Acs Infect Dis., 10, 2024
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