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4IE9
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BU of 4ie9 by Molmil
Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate
Descriptor: GLYCEROL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Dreyer, M.K, Schiffer, A, Lodge, J.
Deposit date:2012-12-13
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring
J.Am.Chem.Soc., 135, 2013
4IJ9
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BU of 4ij9 by Molmil
Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
Descriptor: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Dreyer, M.K, Schiffer, A.
Deposit date:2012-12-21
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring
J.Am.Chem.Soc., 135, 2013
4MNX
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BU of 4mnx by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811
Descriptor: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, GLYCEROL, SULFATE ION, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2013-09-11
Release date:2014-02-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014

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