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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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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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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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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5NRZ
 | | Cys-Gly dipeptidase GliJ in complex with Mn2+ | | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, GLYCEROL, ... | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
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5NRY
 | | Cys-Gly dipeptidase GliJ in complex with Fe3+ | | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, FE (III) ION | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
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5NS2
 | | Cys-Gly dipeptidase GliJ in complex with Co2+ | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Dipeptidase gliJ, ... | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
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5NS1
 | | Cys-Gly dipeptidase GliJ in complex with Ni2+ | | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, NICKEL (II) ION | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
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1Y0Y
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1Y0R
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6EOZ
 | | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72K mutant in complex with cyclopeptin (1b) | | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | | Deposit date: | 2017-10-10 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
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6G7F
 | | Yeast 20S proteasome in complex with Cystargolide B | | Descriptor: | CHLORIDE ION, Cystargolide B- bound form, MAGNESIUM ION, ... | | Authors: | Groll, M, Tello-Aburto, R. | | Deposit date: | 2018-04-05 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 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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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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6G8M
 | | Yeast 20S proteasome in complex with Cystargolide B Derivative 1 | | Descriptor: | (2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic 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 (2.7 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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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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6H39
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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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5L5Q
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5L66
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5L5O
 | | Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 16 | | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-~{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 (2.6 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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5L65
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5L5H
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5L5V
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5L6B
 | | Yeast 20S proteasome with mouse beta5i (1-138) and mouse 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 (2.6 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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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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