6GOP
 
 | | Yeast 20S Proteasome in complex with Homosalinosporamide A | | Descriptor: | CHLORIDE ION, Homosalinosporamide A - bound form, MAGNESIUM ION, ... | | Authors: | Groll, M, Romo, D. | | Deposit date: | 2018-06-01 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | (-)-Homosalinosporamide A and Its Mode of Proteasome Inhibition: An X-ray Crystallographic Study.
Mar Drugs, 16, 2018
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2GPL
 | | TMC-95 based biphenyl-ether macrocycles: specific proteasome inhibitors | | Descriptor: | BENZYL [12-(2-AMINO-2-OXOETHYL)-4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-1(19),3(22),4,6,17,20-HEXAEN-9-YL]CARBAMATE, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Goetz, M, Kaiser, M, Weyher, E, Moroder, M. | | Deposit date: | 2006-04-18 | | Release date: | 2006-07-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | TMC-95-Based Inhibitor Design Provides Evidence for the Catalytic Versatility of the Proteasome.
Chem.Biol., 13, 2006
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2ZCY
 | | yeast 20S proteasome:syringolin A-complex | | Descriptor: | (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Dudler, R, Kaiser, M. | | Deposit date: | 2007-11-15 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
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3NZW
 | | 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
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3NZJ
 | | 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
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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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3BDM
 | | yeast 20S proteasome:glidobactin A-complex | | Descriptor: | (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Dudler, R, Kaiser, M. | | Deposit date: | 2007-11-15 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
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1RYP
 | | CRYSTAL STRUCTURE OF THE 20S PROTEASOME FROM YEAST AT 2.4 ANGSTROMS RESOLUTION | | Descriptor: | 20S PROTEASOME, MAGNESIUM ION | | Authors: | Groll, M, Ditzel, L, Loewe, J, Stock, D, Bochtler, M, Bartunik, H.D, Huber, R. | | Deposit date: | 1997-02-26 | | Release date: | 1998-04-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of 20S proteasome from yeast at 2.4 A resolution.
Nature, 386, 1997
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3GPW
 | | Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: irreversible inhibitor ligand | | Descriptor: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B. | | Deposit date: | 2009-03-23 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
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3HYE
 | | Crystal structure of 20S proteasome in complex with hydroxylated salinosporamide | | Descriptor: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Arthur, K.A.M, Macherla, V.R, Manam, R.R, Potts, B.C. | | Deposit date: | 2009-06-22 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
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3GPT
 | | Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: slow substrate ligand | | Descriptor: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B. | | Deposit date: | 2009-03-23 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
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1G0U
 | | A GATED CHANNEL INTO THE PROTEASOME CORE PARTICLE | | Descriptor: | MAGNESIUM ION, PROTEASOME COMPONENT C1, PROTEASOME COMPONENT C11, ... | | Authors: | Groll, M, Bajorek, M, Kohler, A, Moroder, L, Rubin, D.M, Huber, R, Glickman, M.H, Finley, D. | | Deposit date: | 2000-10-09 | | Release date: | 2000-11-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A gated channel into the proteasome core particle.
Nat.Struct.Biol., 7, 2000
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3DY3
 | | Crystal structure of yeast 20S proteasome in complex with the epimer form of spirolactacystin | | Descriptor: | (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Balskus, E, Jacobsen, E. | | Deposit date: | 2008-07-25 | | Release date: | 2008-11-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structural analysis of spiro beta-lactone proteasome inhibitors.
J.Am.Chem.Soc., 130, 2008
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3E47
 | | Crystal Structure of the Yeast 20S Proteasome in Complex with Homobelactosin C | | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | | Authors: | Groll, M, Larionov, O.V, de Meijere, A. | | Deposit date: | 2008-08-10 | | Release date: | 2008-09-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Inhibitor-binding mode of homobelactosin C to proteasomes: new insights into class I MHC ligand generation
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3DY4
 | | Crystal structure of yeast 20S proteasome in complex with spirolactacystin | | Descriptor: | Omuralide, open form, Proteasome component C1, ... | | Authors: | Groll, M, Balskus, E, Jacobsen, E. | | Deposit date: | 2008-07-25 | | Release date: | 2008-11-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural analysis of spiro beta-lactone proteasome inhibitors.
J.Am.Chem.Soc., 130, 2008
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2F16
 | | Crystal structure of the yeast 20S proteasome in complex with bortezomib | | Descriptor: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M. | | Deposit date: | 2005-11-14 | | Release date: | 2006-03-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Boronic Acid-Based Proteasome Inhibitor Bortezomib in Complex with the Yeast 20S Proteasome.
Structure, 14, 2006
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2FAK
 | | Crystal structure of Salinosporamide A in complex with the yeast 20S proteasome | | Descriptor: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Potts, B.C. | | Deposit date: | 2005-12-07 | | Release date: | 2006-04-18 | | Last modified: | 2023-05-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Salinosporamide A (NPI-0052) and B (NPI-0047) in Complex with the 20S Proteasome Reveal Important Consequences of beta-Lactone Ring Opening and a Mechanism for Irreversible Binding.
J.Am.Chem.Soc., 128, 2006
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1J2Q
 | | 20S proteasome in complex with calpain-Inhibitor I from archaeoglobus fulgidus | | Descriptor: | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE, Proteasome alpha subunit, Proteasome beta subunit | | Authors: | Groll, M, Brandstetter, H, Bartunik, H, Bourenkow, G, Huber, R. | | Deposit date: | 2003-01-08 | | Release date: | 2003-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Investigations on the Maturation and Regulation of Archaebacterial Proteasomes
J.MOL.BIOL., 327, 2003
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1J2P
 | | alpha-ring from the proteasome from archaeoglobus fulgidus | | Descriptor: | Proteasome alpha subunit | | Authors: | Groll, M, Brandstetter, H, Bartunik, H, Bourenkow, G, Huber, R. | | Deposit date: | 2003-01-08 | | Release date: | 2003-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Investigations on the Maturation and Regulation of Archaebacterial Proteasomes
J.MOL.BIOL., 327, 2003
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1JD2
 | | Crystal Structure of the yeast 20S Proteasome:TMC-95A complex: A non-covalent Proteasome Inhibitor | | Descriptor: | MAGNESIUM ION, PROTEASOME COMPONENT C1, PROTEASOME COMPONENT C11, ... | | Authors: | Groll, M, Koguchi, Y, Huber, R, Kohno, J. | | Deposit date: | 2001-06-12 | | Release date: | 2002-02-13 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the 20 S proteasome:TMC-95A complex: a non-covalent proteasome inhibitor.
J.Mol.Biol., 311, 2001
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1G65
 | | Crystal structure of epoxomicin:20s proteasome reveals a molecular basis for selectivity of alpha,beta-epoxyketone proteasome inhibitors | | Descriptor: | EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, Proteasome component C1, ... | | Authors: | Groll, M, Kim, K.B, Kairies, N, Huber, R, Crews, C. | | Deposit date: | 2000-11-03 | | Release date: | 2000-11-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of Epoxomicin:20S Proteasome reveals a molecular basis for selectivity of alpha,beta-Epoxyketone Proteasome Inhibitors
J.Am.Chem.Soc., 122, 2000
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5JIG
 | | Crytsal structure of Wss1 from S. pombe | | Descriptor: | NICKEL (II) ION, OXYGEN MOLECULE, Ubiquitin and WLM domain-containing metalloprotease SPCC1442.07c | | Authors: | Groll, M, Stingele, J, Boulton, S. | | Deposit date: | 2016-04-22 | | Release date: | 2016-11-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Mechanism and Regulation of DNA-Protein Crosslink Repair by the DNA-Dependent Metalloprotease SPRTN.
Mol.Cell, 64, 2016
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5DAX
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5DAQ
 | | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclopeptin | | Descriptor: | (3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 2-OXOGLUTARIC ACID, NICKEL (II) ION, ... | | Authors: | Groll, M, Braeuer, A. | | Deposit date: | 2015-08-20 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the Dioxygenase AsqJ: Mechanistic Insights into a One-Pot Multistep Quinolone Antibiotic Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
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6G8N
 | | Yeast 20S proteasome in complex with Cystargolide B Derivative 2 | | Descriptor: | (2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Groll, M, Tello-Aburto, R. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors.
Eur J Med Chem, 157, 2018
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