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4RUR
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BU of 4rur by Molmil
Yeast 20S proteasome in complex with the alkaloid indolo-phakellin (4)
Descriptor: (2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Beck, P, Lansdell, T.A, Hewlett, N.M, Tepe, J.J, Groll, M.
Deposit date:2014-11-21
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Indolo-Phakellins as beta 5-Specific Noncovalent Proteasome Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5BOU
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BU of 5bou by Molmil
Yeast 20S proteasome in complex with a beta1 / beta2 specific non-peptidic sulfonamide Ligand
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide, ...
Authors:Beck, P, Groll, M.
Deposit date:2015-05-27
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a beta 1/ beta 2-Specific Sulfonamide Proteasome Ligand by Crystallographic Screening.
Angew.Chem.Int.Ed.Engl., 54, 2015
5DKI
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BU of 5dki by Molmil
Yeast 20S proteasome in complex with alkyne-PI
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Beck, P, Cui, H, Groll, M.
Deposit date:2015-09-03
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation.
Chemmedchem, 10, 2015
5DKJ
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BU of 5dkj by Molmil
Yeast 20S proteasome in complex with octreotide-PI
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Beck, P, Cui, H, Groll, M.
Deposit date:2015-09-03
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation.
Chemmedchem, 10, 2015
4Q1S
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BU of 4q1s by Molmil
Yeast 20S proteasome in Complex with Kendomycin
Descriptor: (5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Beck, P, Heinemeyer, W, Spaeth, A, Elnakady, Y, Mueller, R, Groll, M.
Deposit date:2014-04-04
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Interactions of the natural product kendomycin and the 20S proteasome.
J.Mol.Biol., 426, 2014
3SHJ
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BU of 3shj by Molmil
Proteasome in complex with hydroxyurea derivative HU10
Descriptor: 1-hydroxy-1-[(2R)-4-{3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, ...
Authors:Gallastegui, N, Beck, P, Arciniega, M, Hillebrand, S, Huber, R, Groll, M.
Deposit date:2011-06-16
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Hydroxyureas as noncovalent proteasome inhibitors.
Angew.Chem.Int.Ed.Engl., 51, 2012
4QBY
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BU of 4qby by Molmil
yCP in complex with BOC-ALA-ALA-ALA-CHO
Descriptor: BOC-ALA-ALA-ALA-CHO, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Arciniega, M, Beck, P, Lange, O, Groll, M, Huber, R.
Deposit date:2014-05-09
Release date:2014-06-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Differential global structural changes in the core particle of yeast and mouse proteasome induced by ligand binding.
Proc.Natl.Acad.Sci.USA, 111, 2014
4Q3A
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BU of 4q3a by Molmil
PylD cocrystallized with L-Lysine-Ne-3S-methyl-L-ornithine and NAD+
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Quitterer, F, Beck, P, Bacher, A, Groll, M.
Deposit date:2014-04-11
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 53, 2014
4Q3B
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BU of 4q3b by Molmil
PylD cocrystallized with L-Lysine-Ne-D-lysine and NAD+
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Quitterer, F, Beck, P, Bacher, A, Groll, M.
Deposit date:2014-04-11
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 53, 2014
4Q39
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BU of 4q39 by Molmil
PylD in complex with pyrrolysine and NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Quitterer, F, Beck, P, Bacher, A, Groll, M.
Deposit date:2014-04-11
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 53, 2014
4R02
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BU of 4r02 by Molmil
yCP in complex with BSc4999 (alpha-Keto Phenylamide)
Descriptor: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide, Probable proteasome subunit alpha type-7, ...
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:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:alpha-Keto Phenylamides as P1'-Extended Proteasome Inhibitors.
Chemmedchem, 9, 2014
4FFO
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BU of 4ffo by Molmil
PylC in complex with phosphorylated D-ornithine
Descriptor: (2R)-2,5-diaminopentanoyl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFP
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BU of 4ffp by Molmil
PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine and D-ornithine)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~6~-D-ornithyl-L-lysine, ...
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFL
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BU of 4ffl by Molmil
PylC in complex with L-lysine
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ...
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFN
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BU of 4ffn by Molmil
PylC in complex with D-ornithine and AMPPNP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-ORNITHINE, MAGNESIUM ION, ...
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFM
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BU of 4ffm by Molmil
PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine-Ne-D-ornithine)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFR
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BU of 4ffr by Molmil
SeMet-labeled PylC (remote)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PylC
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FZC
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BU of 4fzc by Molmil
20S yeast proteasome in complex with cepafungin I
Descriptor: Cepafungin I, Proteasome component C1, Proteasome component C11, ...
Authors:Stein, M, Beck, P, Kaiser, M, Dudler, R, Becker, C.F.W, Groll, M.
Deposit date:2012-07-06
Release date:2012-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:One-shot NMR analysis of microbial secretions identifies highly potent proteasome inhibitor.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FZG
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BU of 4fzg by Molmil
20S yeast proteasome in complex with glidobactin
Descriptor: Glidobactin, Proteasome component C1, Proteasome component C11, ...
Authors:Stein, M, Beck, P, Kaiser, M, Dudler, R, Becker, C.F.W, Groll, M.
Deposit date:2012-07-06
Release date:2012-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:One-shot NMR analysis of microbial secretions identifies highly potent proteasome inhibitor.
Proc.Natl.Acad.Sci.USA, 109, 2012
4J43
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BU of 4j43 by Molmil
PylD holoenzyme
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PylD, ...
Authors:Quitterer, F, Beck, P, Bacher, A, Groll, M.
Deposit date:2013-02-06
Release date:2013-06-12
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 52, 2013
4J4H
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BU of 4j4h by Molmil
PylD in complex with pyrroline-carboxy-lysine and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine, ...
Authors:Quitterer, F, Beck, P, Bacher, A, Groll, M.
Deposit date:2013-02-06
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 52, 2013
4J4B
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BU of 4j4b by Molmil
PylD in complex with L-lysine-Ne-D-ornithine and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, N~6~-D-ornithyl-L-lysine, ...
Authors:Quitterer, F, Beck, P, Bacher, A, Groll, M.
Deposit date:2013-02-06
Release date:2013-06-12
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 52, 2013
4J49
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BU of 4j49 by Molmil
PylD holoenzyme soaked with L-lysine-Ne-D-ornithine
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Quitterer, F, Beck, P, Bacher, A, Groll, M.
Deposit date:2013-02-06
Release date:2013-06-12
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 52, 2013
4JK3
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BU of 4jk3 by Molmil
PylD holoenzyme (SeMet)
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PylD, ...
Authors:Quitterer, F, Beck, P, Bacher, A, Groll, M.
Deposit date:2013-03-09
Release date:2013-06-12
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 52, 2013
4NO1
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BU of 4no1 by Molmil
yCP in complex with Z-Leu-Leu-Leu-B(OH)2
Descriptor: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide, Probable proteasome subunit alpha type-7, ...
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:2023-09-20
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

 

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