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6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
分子名称: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者DiDonato, M, Spraggon, G.
登録日2019-10-01
公開日2020-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
3E0P
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BU of 3e0p by Molmil
The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor
分子名称: GLYCEROL, Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-07-31
公開日2008-09-09
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
3E16
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BU of 3e16 by Molmil
X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ...
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-08-01
公開日2008-09-09
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
1P4F
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BU of 1p4f by Molmil
DEATH ASSOCIATED PROTEIN KINASE CATALYTIC DOMAIN WITH BOUND INHIBITOR FRAGMENT
分子名称: 5,6-Dihydro-benzo[H]cinnolin-3-ylamine, Death-associated protein kinase 1
著者Velentza, A.V, Wainwright, M.S, Zasadzki, M, Mirzoeva, S, Haiech, J, Focia, P.J, Egli, M, Watterson, D.M.
登録日2003-04-23
公開日2004-09-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An aminopyridazine-based inhibitor of a pro-apoptotic protein kinase attenuates hypoxia-ischemia induced acute brain injury.
Bioorg.Med.Chem.Lett., 13, 2003
3GU8
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BU of 3gu8 by Molmil
Crystal structure of DAPKL93G with N6-cyclopentyladenosine
分子名称: Death-associated protein kinase 1, N6-cyclopentyladenosine
著者McNamara, L.K, Schumacher, A.M, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
登録日2009-03-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of the DAPK gatekeeper mutant with N6-modified adenosine analogs.
To be Published
3GUB
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Crystal structure of DAPKL93G complexed with N6-(2-Phenylethyl)adenosine
分子名称: 9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine, Death-associated protein kinase 1, SULFATE ION
著者McNamara, L.K, Schumacher, A.M, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
登録日2009-03-29
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structures of the DAPK gatekeeper mutant complexed with N6-modified adenosine analogs.
To be Published

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件を2024-08-28に公開中

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