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PDB: 52 件

6W58
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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
5D9F
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Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[(1R,3S)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P.
登録日2015-08-18
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To be published
6O9O
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Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
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2019-03-14
公開日2020-03-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.586 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors
To be published
3KKV
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BU of 3kkv by Molmil
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
3L54
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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
3L08
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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
5HQ8
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Co-crystal Structure of human SMYD3 with a MEKK2 peptide at 2.13A
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2016-01-21
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 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
5HI7
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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
1F6F
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CRYSTAL STRUCTURE OF THE TERNARY COMPLEX BETWEEN OVINE PLACENTAL LACTOGEN AND THE EXTRACELLULAR DOMAIN OF THE RAT PROLACTIN RECEPTOR
分子名称: PLACENTAL LACTOGEN, PROLACTIN RECEPTOR
著者Elkins, P.A, Christinger, H.W, Sandowski, Y, Sakal, E, Gertler, A, De Vos, A.M, Kossiakoff, A.A.
登録日2000-06-21
公開日2000-07-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ternary complex between placental lactogen and the extracellular domain of the prolactin receptor.
Nat.Struct.Biol., 7, 2000
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2019-06-06
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PAF
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Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: GLYCEROL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-11
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.241 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-04
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6G
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BU of 6p6g by Molmil
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
1L6J
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BU of 1l6j by Molmil
Crystal structure of human matrix metalloproteinase MMP9 (gelatinase B).
分子名称: CALCIUM ION, Matrix metalloproteinase-9, ZINC ION
著者Elkins, P.A, Ho, Y.S, Smith, W.W, Janson, C.A, D'Alessio, K.J, McQueney, M.S, Cummings, M.D, Romanic, A.M.
登録日2002-03-11
公開日2002-07-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the C-terminally truncated human ProMMP9, a gelatin-binding matrix metalloproteinase.
Acta Crystallogr.,Sect.D, 58, 2002
1P9P
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BU of 1p9p by Molmil
The Crystal Structure of a M1G37 tRNA Methyltransferase, TrmD
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Watts, J.M, Zalacain, M, Van Thiel, A, Vitaszka, P.R, Redlak, M, Andraos-Selim, C, Rastinejad, F, Holmes, W.M.
登録日2003-05-12
公開日2004-05-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into Catalysis by a Knotted TrmD tRNA Methyltransferase.
J.Mol.Biol., 333, 2003
4YKN
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BU of 4ykn by Molmil
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
4YQL
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BU of 4yql by Molmil
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
4YQQ
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BU of 4yqq by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide, 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 (1.78 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQP
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Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-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 (2.601 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YPZ
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Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 4-(1H-imidazol-2-yl)pyridine, 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 (1.84 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQ4
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BU of 4yq4 by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide, CITRATE ANION, 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 (1.89 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQD
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BU of 4yqd by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-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2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To be published
4YPY
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Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 4-(1H-imidazol-5-yl)pyridine, CITRATE ANION, 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 (1.9 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQN
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Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-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 (2.2 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQ5
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Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide, CITRATE ANION, 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 (1.76 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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件を2024-08-28に公開中

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