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6ES0
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BU of 6es0 by Molmil
Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35
分子名称: 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2
著者Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N.
登録日2017-10-19
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6S1F
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BU of 6s1f by Molmil
Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3
分子名称: Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
著者Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-06-18
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Design of 3,5-diaryl-2-aminopyridines as receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors
To be published
6U3J
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BU of 6u3j by Molmil
Structure of the 2-oxoadipate dehydrogenase DHTKD1
分子名称: 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, MAGNESIUM ION, ...
著者Khamrui, S, Lazarus, M.B.
登録日2019-08-21
公開日2020-07-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Inhibition and Crystal Structure of the Human DHTKD1-Thiamin Diphosphate Complex.
Acs Chem.Biol., 15, 2020
4C8B
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BU of 4c8b by Molmil
Structure of the kinase domain of human RIPK2 in complex with ponatinib
分子名称: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
著者Canning, P, Krojer, T, Bradley, A, Mahajan, P, Goubin, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-09-30
公開日2013-10-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Inflammatory Signaling by NOD-RIPK2 Is Inhibited by Clinically Relevant Type II Kinase Inhibitors.
Chem. Biol., 22, 2015
6FU5
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Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP18
分子名称: Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide
著者Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-02-26
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling.
EMBO J., 37, 2018
8E8U
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BU of 8e8u by Molmil
Structure of the LOR domain of human AASS
分子名称: Alpha-aminoadipic semialdehyde synthase, mitochondrial, MAGNESIUM ION
著者Khamrui, S, Lazarus, M.B.
登録日2022-08-25
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
8E8T
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Structure of the short LOR domain of human AASS
分子名称: Alpha-aminoadipic semialdehyde synthase, mitochondrial
著者Khamrui, S, Lazarus, M.B.
登録日2022-08-25
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
8E8V
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Structure of the short LOR domain of human AASS bound to N-ethylsuccinimide
分子名称: 1-ETHYL-PYRROLIDINE-2,5-DIONE, Alpha-aminoadipic semialdehyde synthase, mitochondrial
著者Khamrui, S, Lazarus, M.B.
登録日2022-08-25
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022

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件を2024-10-16に公開中

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