1LOX
| RABBIT RETICULOCYTE 15-LIPOXYGENASE | 分子名称: | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID, 15-LIPOXYGENASE, FE (II) ION | 著者 | Gillmor, S.A, Villasenor, A, Fletterick, R.J, Sigal, E, Browner, M.F. | 登録日 | 1997-10-06 | 公開日 | 1998-11-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The structure of mammalian 15-lipoxygenase reveals similarity to the lipases and the determinants of substrate specificity. Nat.Struct.Biol., 4, 1997
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1OZ1
| P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR | 分子名称: | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14 | 著者 | Lovejoy, B, Villasenor, A, Browner, M, Dunten, P. | 登録日 | 2003-04-07 | 公開日 | 2003-09-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase. J.Med.Chem., 46, 2003
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2GFS
| P38 Kinase Crystal Structure in complex with RO3201195 | 分子名称: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | 著者 | Harris, S.F, Bertrand, J, Villasenor, A. | 登録日 | 2006-03-23 | 公開日 | 2006-04-18 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | 主引用文献 | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase J.Med.Chem., 49, 2006
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5T7F
| PI3Kdelta in complex with the inhibitor GS-643624 | 分子名称: | 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J.R, Villasenor, A. | 登録日 | 2016-09-04 | 公開日 | 2016-12-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd To Be Published
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5T8I
| PI3Kdelta in complex with the inhibitor GS-9901 | 分子名称: | 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J.R, Villasenor, A. | 登録日 | 2016-09-07 | 公開日 | 2016-12-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd To Be Published
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3DI6
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4XE0
| Idelalisib bound to the p110 subunit of PI3K delta | 分子名称: | 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J.R, Villasenor, A. | 登録日 | 2014-12-20 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.434 Å) | 主引用文献 | Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta. J.Biol.Chem., 290, 2015
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6DGT
| Selective PI3K beta inhibitor bound to PI3K delta | 分子名称: | 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J, Villasenor, A, McGrath, M. | 登録日 | 2018-05-18 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor. J. Med. Chem., 61, 2018
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3M8P
| HIV-1 RT with NNRTI TMC-125 | 分子名称: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Harris, S.F, Villasenor, A. | 登録日 | 2010-03-18 | 公開日 | 2010-05-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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3M8Q
| HIV-1 RT with AMINOPYRIMIDINE NNRTI | 分子名称: | 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Harris, S.F, Villasenor, A. | 登録日 | 2010-03-18 | 公開日 | 2010-05-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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3DYA
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3E01
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5DFW
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6EJM
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6EK2
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2P0M
| Revised structure of rabbit reticulocyte 15S-lipoxygenase | 分子名称: | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID, Arachidonate 15-lipoxygenase, FE (II) ION | 著者 | Choi, J, Chon, J.K, Kim, S, Shin, W. | 登録日 | 2007-02-28 | 公開日 | 2007-10-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Conformational flexibility in mammalian 15S-lipoxygenase: Reinterpretation of the crystallographic data. Proteins, 70, 2008
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3FSK
| P38 kinase crystal structure in complex with RO6257 | 分子名称: | 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14 | 著者 | Kuglstatter, A, Bertrand, J, Takahara, P, Villasenor, A. | 登録日 | 2009-01-09 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
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3FFI
| HIV-1 RT with pyridone non-nucleoside inhibitor | 分子名称: | 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile, RT p51, Reverse transcriptase/ribonuclease H | 著者 | Harris, S.F, Villasenor, A. | 登録日 | 2008-12-03 | 公開日 | 2009-12-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Pyridone Diaryl Ether Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase To be Published
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