Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 14 件
4C7K
DownloadVisualize
BU of 4c7k by Molmil
11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor
分子名称: 2-ethyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Goldberg, F.W, Dossetter, A.G, Scott, J.S, Robb, G.R, Boyd, S, Groombridge, S.D, Kemmitt, P.D, Sjogren, T, Morentin Gutierrez, P, de Schoolmeester, J, Swales, J.G, Turnbull, A.V, Wild, M.J.
登録日2013-09-23
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Optimization of Brain Penetrant 11Beta-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet- Induced Obese Mice.
J.Med.Chem., 57, 2014
7QG5
DownloadVisualize
BU of 7qg5 by Molmil
IRAK4 in complex with inhibitor
分子名称: 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
著者Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
登録日2021-12-07
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG2
DownloadVisualize
BU of 7qg2 by Molmil
IRAK4 in complex with inhibitor
分子名称: 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
著者Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
登録日2021-12-07
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.031 Å)
主引用文献Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG1
DownloadVisualize
BU of 7qg1 by Molmil
IRAK4 in complex with inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
著者Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
登録日2021-12-07
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG3
DownloadVisualize
BU of 7qg3 by Molmil
IRAK4 in complex with inhibitor
分子名称: 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
著者Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
登録日2021-12-07
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
6RFJ
DownloadVisualize
BU of 6rfj by Molmil
IRAK4 IN COMPLEX WITH inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2019-04-15
公開日2019-10-30
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
J.Med.Chem., 62, 2019
6RFI
DownloadVisualize
BU of 6rfi by Molmil
IRAK4 IN COMPLEX WITH inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2019-04-15
公開日2019-10-30
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
J.Med.Chem., 62, 2019
4C7J
DownloadVisualize
BU of 4c7j by Molmil
11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor
分子名称: 4-cyclopropyl-2-(2-hydroxyethyloxy)-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Goldberg, F.W, Dossetter, A.G, Scott, J.S, Robb, G.R, Boyd, S, Groombridge, S.D, Kemmitt, P.D, Sjogren, T, Morentin Gutierrez, P, de Schoolmeester, J, Swales, J.G, Turnbull, A.V, Wild, M.J.
登録日2013-09-23
公開日2014-09-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Optimization of Brain Penetrant 11Beta-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet- Induced Obese Mice.
J.Med.Chem., 57, 2014
5AD3
DownloadVisualize
BU of 5ad3 by Molmil
Bivalent binding to BET bromodomains
分子名称: 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
6F3I
DownloadVisualize
BU of 6f3i by Molmil
IRAK4 IN COMPLEX WITH inhibitor
分子名称: (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2017-11-28
公開日2018-05-23
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
5AD2
DownloadVisualize
BU of 5ad2 by Molmil
Bivalent binding to BET bromodomains
分子名称: (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
6F3E
DownloadVisualize
BU of 6f3e by Molmil
IRAK4 IN COMPLEX WITH inhibitor
分子名称: 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2017-11-28
公開日2018-05-23
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
6F3G
DownloadVisualize
BU of 6f3g by Molmil
IRAK4 IN COMPLEX WITH inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2017-11-28
公開日2018-05-23
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
6F3D
DownloadVisualize
BU of 6f3d by Molmil
IRAK4 IN COMPLEX WITH inhibitor
分子名称: 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2017-11-28
公開日2018-05-23
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018

222036

件を2024-07-03に公開中

PDB statisticsPDBj update infoContact PDBjnumon