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3E0N
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BU of 3e0n by Molmil
The X-ray structure of Human Prostasin in complex with DFFR-chloromethyl ketone inhibitor
Descriptor: DPN-PHE-ARM, GLYCEROL, Prostasin heavy chain, ...
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2008-07-31
Release date:2009-06-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ...
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2008-08-01
Release date:2008-09-09
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 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
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2008-07-31
Release date:2008-09-09
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: GLYCEROL, Prostasin
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2008-08-04
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1-[4-(hydroxymethyl)phenyl]guanidine, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2009-01-15
Release date:2009-05-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Pancreatic trypsin inhibitor, Prostasin
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2009-04-03
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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.
Descriptor: CALCIUM ION, GLYCEROL, Prostasin
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2009-04-03
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
5D41
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BU of 5d41 by Molmil
EGFR kinase domain in complex with mutant selective allosteric inhibitor
Descriptor: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Yun, C.-H, Park, E, Eck, M.J.
Deposit date:2015-08-07
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors.
Nature, 534, 2016
8D28
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BU of 8d28 by Molmil
Crystal structure of theophylline aptamer in complex with theophylline
Descriptor: MAGNESIUM ION, RNA (33-MER), SODIUM ION, ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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
Descriptor: Fab heavy chain, Fab light chain, POTASSIUM ION, ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol, MAGNESIUM ION, RNA (33-MER), ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite: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
Descriptor: 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol, MAGNESIUM ION, RNA (33-MER), ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.44 Å)
Cite: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
Descriptor: 4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol, RNA (33-MER)
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-06-05
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: FAB heavy chain, FAB light chain, RNA (34-MER)
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-07-04
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite: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
Descriptor: 4-amino-8-methylpteridine-2,7(1H,8H)-dione, CALCIUM ION, MAGNESIUM ION, ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-06-05
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
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