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4C4X
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CRYSTAL STRUCTURE OF HUMAN BIFUNCTIONAL EPOXIDE HYDROXYLASE 2 COMPLEXED WITH C9
Descriptor:BIFUNCTIONAL EPOXIDE HYDROLASE 2, 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea
Authors:Pilger, J., Mazur, A., Monecke, P., Schreuder, H., Elshorst, B., Langer, T., Schiffer, A., Krimm, I., Wegstroth, M., Lee, D., Hessler, G., Wendt, K.-U., Becker, S., Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Y
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CRYSTAL STRUCTURE OF HUMAN BIFUNCTIONAL EPOXIDE HYDROXYLASE 2 COMPLEXED WITH A4
Descriptor:BIFUNCTIONAL EPOXIDE HYDROLASE 2, 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea
Authors:Pilger, J., Mazur, A., Monecke, P., Schreuder, H., Elshorst, B., Langer, T., Schiffer, A., Krimm, I., Wegstroth, M., Lee, D., Hessler, G., Wendt, K.-U., Becker, S., Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Z
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CRYSTAL STRUCTURE OF HUMAN BIFUNCTIONAL EPOXIDE HYDROXYLASE 2 COMPLEXED WITH A8
Descriptor:BIFUNCTIONAL EPOXIDE HYDROLASE 2, 1-ethyl-3-naphthalen-1-ylurea
Authors:Pilger, J., Mazur, A., Monecke, P., Schreuder, H., Elshorst, B., Langer, T., Schiffer, A., Krimm, I., Wegstroth, M., Lee, D., Hessler, G., Wendt, K.-U., Becker, S., Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
3DND
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CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 5-benzyl-1,3-thiazol-2-amine
Authors:Schiffer, A., Wendt, K.U.
Deposit date:2008-07-02
Release date:2009-06-23
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystallography-independent determination of ligand binding modes
Angew.Chem.Int.Ed.Engl., 47, 2008
3DNE
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CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 3-pyridin-4-yl-1H-indazole
Authors:Schiffer, A., Wendt, K.U.
Deposit date:2008-07-02
Release date:2009-06-23
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallography-independent determination of ligand binding modes
Angew.Chem.Int.Ed.Engl., 47, 2008
4IE9
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BOVINE PKA C-ALPHA IN COMPLEX WITH 3-PYRIDYLMETHYL-5-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate, ...
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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BOVINE PKA C-ALPHA IN COMPLEX WITH 2-[[5-(4-PYRIDYL)-1H-1,2,4-TRIAZOL-3-YL]SULFANYL]-1-(2-THIOPHENYL)ETHANONE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
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
4YXR
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CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH INHIBITOR.
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 3-methyl-2H-indazole
Authors:Schiffer, A., Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-27
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4YXS
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CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, N-BENZYL-9H-PURIN-6-AMINE
Authors:Schiffer, A., Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-20
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015