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6VHG
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BU of 6vhg by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
分子名称: 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ...
著者Lee, C.C, Spraggon, G.
登録日2020-01-09
公開日2020-02-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
8D28
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BU of 8d28 by Molmil
Crystal structure of theophylline aptamer in complex with theophylline
分子名称: MAGNESIUM ION, RNA (33-MER), SODIUM ION, ...
著者Menichelli, E, Spraggon, G.
登録日2022-05-28
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D5O
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BU of 8d5o by Molmil
Crystal structure of theophylline aptamer in complex with TAL4
分子名称: 4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol, RNA (33-MER)
著者Menichelli, E, Spraggon, G.
登録日2022-06-05
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D29
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BU of 8d29 by Molmil
Crystal structure of theophylline aptamer - apo form
分子名称: Fab heavy chain, Fab light chain, POTASSIUM ION, ...
著者Menichelli, E, Spraggon, G.
登録日2022-05-28
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DK7
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BU of 8dk7 by Molmil
Crystal structure of theophylline aptamer soaked with TAL2
分子名称: FAB heavy chain, FAB light chain, RNA (34-MER)
著者Menichelli, E, Spraggon, G.
登録日2022-07-04
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D2B
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BU of 8d2b by Molmil
Crystal structure of theophylline aptamer in complex with TAL2
分子名称: 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol, MAGNESIUM ION, RNA (33-MER), ...
著者Menichelli, E, Spraggon, G.
登録日2022-05-28
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D2A
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BU of 8d2a by Molmil
Crystal structure of theophylline aptamer in complex with TAL3
分子名称: 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol, MAGNESIUM ION, RNA (33-MER), ...
著者Menichelli, E, Spraggon, G.
登録日2022-05-28
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D5L
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BU of 8d5l by Molmil
Crystal structure of theophylline aptamer in complex with TAL1
分子名称: 4-amino-8-methylpteridine-2,7(1H,8H)-dione, CALCIUM ION, MAGNESIUM ION, ...
著者Menichelli, E, Spraggon, G.
登録日2022-06-05
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
3E0N
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BU of 3e0n by Molmil
The X-ray structure of Human Prostasin in complex with DFFR-chloromethyl ketone inhibitor
分子名称: DPN-PHE-ARM, GLYCEROL, Prostasin heavy chain, ...
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-07-31
公開日2009-06-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
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
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
3E1X
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BU of 3e1x by Molmil
The Crystal Structure of Apo Prostasin at 1.7 Angstroms Resolution
分子名称: GLYCEROL, Prostasin
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-08-04
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
3FVF
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BU of 3fvf by Molmil
The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution
分子名称: 1-[4-(hydroxymethyl)phenyl]guanidine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2009-01-15
公開日2009-05-05
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
3GYM
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BU of 3gym by Molmil
Structure of Prostasin in Complex with Aprotinin
分子名称: Pancreatic trypsin inhibitor, Prostasin
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2009-04-03
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
3GYL
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BU of 3gyl by Molmil
Structure of Prostasin at 1.3 Angstroms resolution in complex with a Calcium Ion.
分子名称: CALCIUM ION, GLYCEROL, Prostasin
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2009-04-03
公開日2009-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
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