Author results

1E1Z
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CRYSTAL STRUCTURE OF AN ARYLSULFATASE A MUTANT C69S
Descriptor:Arylsulfatase A, N-ACETYL-D-GLUCOSAMINE, MAGNESIUM ION
Authors:von Buelow, R., Schmidt, B., Dierks, T., von Figura, K., Uson, I.
Deposit date:2000-05-12
Release date:2001-05-10
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an enzyme-substrate complex provides insight into the interaction between human arylsulfatase A and its substrates during catalysis.
J. Mol. Biol., 305, 2001
1E2S
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CRYSTAL STRUCTURE OF AN ARYLSULFATASE A MUTANT C69A
Descriptor:Arylsulfatase A, MAGNESIUM ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:von Buelow, R., Schmidt, B., Dierks, T., von Figura, K., Uson, I.
Deposit date:2000-05-24
Release date:2000-12-06
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of an enzyme-substrate complex provides insight into the interaction between human arylsulfatase A and its substrates during catalysis.
J. Mol. Biol., 305, 2001
1E33
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CRYSTAL STRUCTURE OF AN ARYLSULFATASE A MUTANT P426L
Descriptor:Arylsulfatase A, N-ACETYL-D-GLUCOSAMINE, MAGNESIUM ION
Authors:von Buelow, R., Schmidt, B., Dierks, T., von Figura, K., Uson, I.
Deposit date:2000-06-06
Release date:2001-05-25
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Defective oligomerization of arylsulfatase a as a cause of its instability in lysosomes and metachromatic leukodystrophy.
J. Biol. Chem., 277, 2002
1E3C
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CRYSTAL STRUCTURE OF AN ARYLSULFATASE A MUTANT C69S SOAKED IN SYNTHETIC SUBSTRATE
Descriptor:Arylsulfatase A, N-ACETYL-D-GLUCOSAMINE, MAGNESIUM ION
Authors:von Buelow, R., Schmidt, B., Dierks, T., von Figura, K., Uson, I.
Deposit date:2000-06-13
Release date:2001-03-05
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of an enzyme-substrate complex provides insight into the interaction between human arylsulfatase A and its substrates during catalysis.
J. Mol. Biol., 305, 2001
1E6F
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HUMAN MIR-RECEPTOR, REPEAT 11
Descriptor:CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR
Authors:Von Buelow, R., Rajashankar, K.R., Dauter, M., Dauter, Z., Grimme, S., Schmidt, B., Von Figura, K., Uson, I.
Deposit date:2000-08-15
Release date:2001-08-09
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Locating the Anomalous Scatterer Substructures in Halide and Sulfur Phasing
Acta Crystallogr.,Sect.D, 59, 2003
1GQB
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HUMAN MIR-RECEPTOR, REPEAT 11
Descriptor:CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, BROMIDE ION
Authors:Von Buelow, R., Dauter, M., Dauter, Z., Rajashankar, K.R., Grimme, S., Schmidt, B., Von Figura, K., Uson, I.
Deposit date:2001-11-22
Release date:2002-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Locating the Anomalous Scatterer Substructures in Halide and Sulfur Phasing
Acta Crystallogr.,Sect.D, 59, 2003
1HDH
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ARYLSULFATASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:Arylsulfatase, CALCIUM ION, SULFATE ION
Authors:Boltes, I., Czapinska, H., Kahnert, A., von Buelow, R., Dirks, T., Schmidt, B., von Figura, K., Kertesz, M.A., Uson, I.
Deposit date:2000-11-16
Release date:2001-11-15
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:1.3 A Structure of Arylsulfatase from Pseudomonas Aeruginosa Establishes the Catalytic Mechanism of Sulfate Ester Cleavage in the Sulfatase Family.
Structure, 9, 2001
3OKJ
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ALPHA-KETO-ALDEHYDE BINDING MECHANISM REVEALS A NOVEL LEAD STRUCTURE MOTIF FOR PROTEASOME INHIBITION
Descriptor:Proteasome component Y7, Proteasome component Y13, Proteasome component PRE6, ...
Authors:Groll, M., Poynor, M., Gallastegui, P., Stein, M., Schmidt, B., Kloetzel, P.M., Huber, R.
Deposit date:2010-08-25
Release date:2011-06-08
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Elucidation of the alpha-keto-aldehyde binding mechanism: a lead structure motif for proteasome inhibition
Angew.Chem.Int.Ed.Engl., 50, 2011
4NNN
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YCP IN COMPLEX WITH MG132
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Stein, M.L., Cui, H., Beck, P., Dubiella, C., Voss, C., Krueger, A., Schmidt, B., Groll, M.
Deposit date:2013-11-18
Release date:2014-02-12
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NNW
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YCP IN COMPLEX WITH Z-LEU-LEU-LEU-KETOALDEHYDE
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Stein, M.L., Cui, H., Beck, P., Dubiella, C., Voss, C., Krueger, A., Schmidt, B., Groll, M.
Deposit date:2013-11-19
Release date:2014-02-12
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NO1
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YCP IN COMPLEX WITH Z-LEU-LEU-LEU-B(OH)2
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Stein, M.L., Cui, H., Beck, P., Dubiella, C., Voss, C., Krueger, A., Schmidt, B., Groll, M.
Deposit date:2013-11-19
Release date:2014-02-12
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NO6
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YCP IN COMPLEX WITH Z-LEU-LEU-LEU-VINYLSULFONE
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Stein, M.L., Cui, H., Beck, P., Dubiella, C., Voss, C., Krueger, A., Schmidt, B., Groll, M.
Deposit date:2013-11-19
Release date:2014-02-12
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NO8
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YCP IN COMPLEX WITH Z-LEU-LEU-LEU-KETOAMIDE
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Stein, M.L., Cui, H., Beck, P., Dubiella, C., Voss, C., Krueger, A., Schmidt, B., Groll, M.
Deposit date:2013-11-19
Release date:2014-02-12
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NO9
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YCP IN COMPLEX WITH Z-LEU-LEU-LEU-EPOXYKETONE
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Stein, M.L., Cui, H., Beck, P., Dubiella, C., Voss, C., Krueger, A., Schmidt, B., Groll, M.
Deposit date:2013-11-19
Release date:2014-02-12
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4R02
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YCP IN COMPLEX WITH BSC4999 (ALPHA-KETO PHENYLAMIDE)
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Voss, C., Scholz, C., Knorr, S., Beck, P., Stein, M., Zall, A., Kuckelkorn, U., Kloetzel, P.-M., Groll, M., Hamacher, K., Schmidt, B.
Deposit date:2014-07-29
Release date:2014-08-13
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:alpha-Keto Phenylamides as P1'-Extended Proteasome Inhibitors.
Chemmedchem, 9, 2014
5LCP
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COCRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) IN COMPLEX WITH FASUDIL (M77)
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, ...
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
To Be Published
5LCT
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COCRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) IN COMPLEX WITH A R-METHYL-PIPERAZINE SUBSTITUTED FASUDIL-DERIVATIVE (LIGAND 02)
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, ...
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.615 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5M0B
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COCRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) IN COMPLEX WITH A SHORT-CHAINED N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE) FASUDIL-DERIVATIVE (LIGAND 03)
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE, ...
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-10-04
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5M0C
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COCRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) IN COMPLEX WITH THE FASUDIL-FRAGMENT ISOQUINOLINE-5-SULFONAMIDE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, isoquinoline-5-sulfonamide, ...
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-10-04
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.734 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
5M0L
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COCRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) IN COMPLEX WITH THE METHYLATED FASUDIL-DERIVED FRAGMENT N-METHYLISOQUINOLINE-5-SULFONAMIDE (LIGAND 02)
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}-methylisoquinoline-5-sulfonamide, ...
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.465 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5M0U
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APOSTRUCTURE STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) FROM CHO CELLS WITH A PEPTIDIC INHIBITOR FRAGMENT
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, METHANOL, ...
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.667 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA)
To Be Published
5M6V
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COCRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) IN COMPLEX WITH A DOUBLE METHYLATED FASUDIL-DERIVATIVE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
5M6Y
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COCRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) IN COMPLEX WITH A METHYLISOQUINOLINE FASUDIL-DERIVATIVE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, ...
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.367 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands
To be Published
5M71
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COCRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) IN COMPLEX WITH AN (R)-METHYL SUBSTITUED FASUDIL-DERIVATIVE.
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline, ...
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.488 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands
To be Published
5M75
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COCRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE (PKA) IN COMPLEX WITH A (S)-METHYL SUBSTITUED FASUDIL-DERIVATIVE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, DIMETHYL SULFOXIDE, ...
Authors:Wienen-Schmidt, B., Heine, A., Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands.
To be Published
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