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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
4LQI
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BU of 4lqi by Molmil
Yeast 20S Proteasome in complex with Vibralactone
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:List, A, Zeiler, E, Gallastegui, N, Rusch, M, Hedberg, C, Sieber, S.A, Groll, M.
Deposit date:2013-07-18
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Omuralide and Vibralactone: Differences in the Proteasome-beta-Lactone-gamma-Lactam Binding Scaffold Alter Target Preferences.
Angew.Chem.Int.Ed.Engl., 53, 2014
3NZW
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BU of 3nzw by Molmil
Crystal structure of the yeast 20S proteasome in complex with 2b
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M.
Deposit date:2010-07-17
Release date:2011-02-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A.
Chemmedchem, 5, 2010
3NZJ
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BU of 3nzj by Molmil
Crystal structure of yeast 20S proteasome in complex with ligand 2a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M.
Deposit date:2010-07-16
Release date:2011-02-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A.
Chemmedchem, 5, 2010
3NZX
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BU of 3nzx by Molmil
Crystal structure of the yeast 20S proteasome in complex with ligand 2c
Descriptor: Proteasome component C1, Proteasome component C11, Proteasome component C5, ...
Authors:Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M.
Deposit date:2010-07-17
Release date:2011-02-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A.
Chemmedchem, 5, 2010
4JSU
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BU of 4jsu by Molmil
Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:3a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome
J.Med.Chem., 56, 2013
4JSQ
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BU of 4jsq by Molmil
Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4e
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome
J.Med.Chem., 56, 2013
4JT0
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BU of 4jt0 by Molmil
Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome.
J.Med.Chem., 56, 2013
4INR
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BU of 4inr by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU102
Descriptor: N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
Authors:Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4INT
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BU of 4int by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU122
Descriptor: HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
Authors:Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4INU
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BU of 4inu by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU112
Descriptor: N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
Authors:Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
5JJM
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BU of 5jjm by Molmil
Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide
Descriptor: 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, ACETATE ION, ...
Authors:Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2016-04-24
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of the homodimeric androgen receptor ligand-binding domain.
Nat Commun, 8, 2017
3OKJ
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BU of 3okj by Molmil
Alpha-keto-aldehyde binding mechanism reveals a novel lead structure motif for proteasome inhibition
Descriptor: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-L-leucinamide, Proteasome component C1, Proteasome component C11, ...
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:2023-09-06
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

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