4YQI
 
 | | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | | 分子名称: | (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | | 登録日 | 2015-03-13 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
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4YQS
 | | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | | 分子名称: | (5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Elkins, P.A, Bonnette, W.G, Stuckey, J.A. | | 登録日 | 2015-03-13 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
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4YQ2
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4YQ9
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4YQK
 | | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | | 分子名称: | 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | | 登録日 | 2015-03-13 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
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4YQT
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4YQL
 | | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | | 分子名称: | 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Elkins, P.A, Bonnette, W.G, Madauss, K.P. | | 登録日 | 2015-03-13 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
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4YQQ
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4YQP
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3L08
 | | Structure of Pi3K gamma with a potent inhibitor: GSK2126458 | | 分子名称: | 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Elkins, P.A, Marrero, E.M. | | 登録日 | 2009-12-09 | | 公開日 | 2010-06-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
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6W58
 | | hPGDS complexed with an aza-quinoline | | 分子名称: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase | | 著者 | Elkins, P.A, Ward, P. | | 登録日 | 2020-03-12 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.395 Å) | | 主引用文献 | The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure.
Bioorg.Med.Chem., 28, 2020
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3KKV
 | | Structure of PKA with a protein Kinase B-selective inhibitor. | | 分子名称: | (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Elkins, P.A, Concha, N.O. | | 登録日 | 2009-11-06 | | 公開日 | 2010-12-22 | | 最終更新日 | 2014-12-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of PKA with a protein Kinase B-selective inhibitor.
To be Published
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3L54
 | | Structure of Pi3K gamma with inhibitor | | 分子名称: | 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Elkins, P.A, Smallwood, A.M. | | 登録日 | 2009-12-21 | | 公開日 | 2010-06-30 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
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5HI7
 | | Co-crystal structure of human SMYD3 with an aza-SAH compound | | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SMYD3, ... | | 著者 | Elkins, P.A, Bonnette, W.G. | | 登録日 | 2016-01-11 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
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5HQ8
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6O9O
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1MFP
 | | E. coli Enoyl Reductase in complex with NAD and SB611113 | | 分子名称: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | 著者 | Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F. | | 登録日 | 2002-08-13 | | 公開日 | 2003-05-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK
J.MED.CHEM., 46, 2003
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4YKN
 | | Pi3K alpha lipid kinase with Active Site Inhibitor | | 分子名称: | 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein | | 著者 | Elkins, P.A. | | 登録日 | 2015-03-04 | | 公開日 | 2015-06-17 | | 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 a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Acs Med.Chem.Lett., 6, 2015
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6P6G
 | | Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors | | 分子名称: | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | 著者 | Elkins, P.A, Wang, L. | | 登録日 | 2019-06-03 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6P6K
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6P7Z
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6PAF
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6W8H
 | | H-PGDS complexed with inhibitor 1Y | | 分子名称: | 1,2-ETHANEDIOL, 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide, GLUTATHIONE, ... | | 著者 | Shewchuk, L.M, Ward, P. | | 登録日 | 2020-03-20 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure.
Bioorg.Med.Chem., 28, 2020
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3E88
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-10-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E8C
 | | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-11-18 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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