3NZX
| 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
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3TDD
| Crystal structure of yeast CP in complex with Belactosin C | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Korotkov, V.S, Ludwig, A, Larionov, O.V, Lygin, A.V, Groll, M, de Meijere, A. | Deposit date: | 2011-08-10 | Release date: | 2011-10-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis and biological activity of optimized belactosin C congeners. Org.Biomol.Chem., 9, 2011
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4LQI
| 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
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6HV3
| Yeast 20S proteasome with human beta2i (1-53) | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-10 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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3OKJ
| 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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4NO8
| yCP in complex with Z-Leu-Leu-Leu-ketoamide | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-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: | 2024-03-13 | 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
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3GPJ
| Crystal structure of the yeast 20S proteasome in complex with syringolin B | Descriptor: | N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Huber, R, Kaiser, M. | Deposit date: | 2009-03-23 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthetic and structural studies on syringolin A and B reveal critical determinants of selectivity and potency of proteasome inhibition Proc.Natl.Acad.Sci.USA, 106, 2009
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7TEJ
| Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ... | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J. | Deposit date: | 2022-01-05 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Yeast PI31 inhibits the proteasome by a direct multisite mechanism. Nat.Struct.Mol.Biol., 29, 2022
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7LS5
| Cryo-EM structure of the Pre3-1 20S proteasome core particle | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Schnell, H.M, Walsh Jr, R.M, Rawson, S, Hanna, J.W. | Deposit date: | 2021-02-17 | Release date: | 2021-04-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structures of chaperone-associated assembly intermediates reveal coordinated mechanisms of proteasome biogenesis. Nat.Struct.Mol.Biol., 28, 2021
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6E5B
| Human Immunoproteasome 20S particle in complex with compound 1 | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Steinbacher, S, Augustin, M, Blaesse, M, Harris, S.F. | Deposit date: | 2018-07-19 | Release date: | 2019-09-11 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Design and Evaluation of Highly Selective Human Immunoproteasome Inhibitors Reveal a Compensatory Process That Preserves Immune Cell Viability. J.Med.Chem., 62, 2019
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3MG7
| Structure of yeast 20S open-gate proteasome with Compound 8 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(benzyloxy)-N-[(1S,2R)-2-hydroxy-1-({(1S)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide, MAGNESIUM ION, ... | Authors: | Sintchak, M.D. | Deposit date: | 2010-04-05 | Release date: | 2011-05-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit. Biochem.J., 430, 2010
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5DKI
| 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
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6HW9
| Yeast 20S proteasome in complex with 41b | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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5L5D
| Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with ONX 0914 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2016-05-28 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
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5L5P
| Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 17 | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2016-05-28 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
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5CZ8
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5DKJ
| 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
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8OLR
| Structure of yeast 20S proteasome in complex with the natural product beta-lactone inhibitor Cystargolide A | Descriptor: | CHLORIDE ION, Cystargolide A (bound), MAGNESIUM ION, ... | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | Deposit date: | 2023-03-30 | Release date: | 2023-12-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
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8RHK
| Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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5L61
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6ZP6
| Yeast 20S proteasome in complex with glidobactin-like natural product HB334 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | Deposit date: | 2020-07-08 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii. Chembiochem, 22, 2021
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4QLU
| yCP in complex with tripeptidic epoxyketone inhibitor 9 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide, ... | Authors: | de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H. | Deposit date: | 2014-06-13 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes J.Med.Chem., 57, 2014
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5L5B
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5L5W
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4FZC
| 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
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