4Y8I
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![BU of 4y8i by Molmil](/molmil-images/mine/4y8i) | Yeast 20S proteasome in complex with Ac-PLL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PLL-ep, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4Y6A
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5D0X
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![BU of 5d0x by Molmil](/molmil-images/mine/5d0x) | Yeast 20S proteasome beta5-T1S mutant in complex with Bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-08-03 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
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6HW3
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![BU of 6hw3 by Molmil](/molmil-images/mine/6hw3) | Yeast 20S proteasome in complex with 13 | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM 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 (2.6 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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6HTR
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![BU of 6htr by Molmil](/molmil-images/mine/6htr) | Yeast 20S proteasome with human beta2c (S171G) in complex with 13 | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-04 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 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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6RGQ
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![BU of 6rgq by Molmil](/molmil-images/mine/6rgq) | Human 20S Proteasome | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Toste Rego, A, da Fonseca, P.C.A. | Deposit date: | 2019-04-17 | Release date: | 2019-09-04 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Characterization of Fully Recombinant Human 20S and 20S-PA200 Proteasome Complexes. Mol.Cell, 76, 2019
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4Y7X
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![BU of 4y7x by Molmil](/molmil-images/mine/4y7x) | Yeast 20S proteasome in complex with Ac-PAA-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PPA-ep, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4Y8K
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![BU of 4y8k by Molmil](/molmil-images/mine/4y8k) | Yeast 20S proteasome in complex with H-APLL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, H-APLL-ep, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4NNW
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![BU of 4nnw by Molmil](/molmil-images/mine/4nnw) | yCP in complex with Z-Leu-Leu-Leu-ketoaldehyde | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-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 (2.6 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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4Y8G
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![BU of 4y8g by Molmil](/molmil-images/mine/4y8g) | Yeast 20S proteasome in complex with N3-APnLL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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5FG9
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![BU of 5fg9 by Molmil](/molmil-images/mine/5fg9) | Yeast 20S proteasome beta2-T(-2)V mutant | Descriptor: | MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-12-20 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
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3MG6
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![BU of 3mg6 by Molmil](/molmil-images/mine/3mg6) | Structure of yeast 20S open-gate proteasome with Compound 6 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~2~-{[(1S)-6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-L-threoninamide, ... | Authors: | Sintchak, M.D. | Deposit date: | 2010-04-05 | Release date: | 2011-05-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 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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3OEU
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![BU of 3oeu by Molmil](/molmil-images/mine/3oeu) | Structure of yeast 20S open-gate proteasome with Compound 24 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-{(2S)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[3-(2-methylphenyl)propanoyl]-L-threoninamide, ... | Authors: | Sintchak, M.D. | Deposit date: | 2010-08-13 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome. Bioorg.Med.Chem.Lett., 20, 2010
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5FGE
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4Q1S
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![BU of 4q1s by Molmil](/molmil-images/mine/4q1s) | 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
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4Y8Q
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4QVQ
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![BU of 4qvq by Molmil](/molmil-images/mine/4qvq) | yCP beta5-M45I mutant in complex with bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-15 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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4QWI
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![BU of 4qwi by Molmil](/molmil-images/mine/4qwi) | yCP beta5-A49S-mutant in complex with carfilzomib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-16 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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3SDI
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![BU of 3sdi by Molmil](/molmil-images/mine/3sdi) | Structure of yeast 20S open-gate proteasome with Compound 20 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~4~-(2,2-dimethylpropyl)-N~1~-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide, ... | Authors: | Sintchak, M.D. | Deposit date: | 2011-06-09 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome. Bioorg.Med.Chem.Lett., 20, 2010
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8OHZ
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![BU of 8ohz by Molmil](/molmil-images/mine/8ohz) | Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep1) | Descriptor: | (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H. | Deposit date: | 2023-03-21 | Release date: | 2023-12-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide. Angew.Chem.Int.Ed.Engl., 63, 2024
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3MG0
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![BU of 3mg0 by Molmil](/molmil-images/mine/3mg0) | Structure of yeast 20S proteasome with bortezomib | Descriptor: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome component C1, Proteasome component C11, ... | Authors: | Sintchak, M.D. | Deposit date: | 2010-04-05 | Release date: | 2011-05-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.68 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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4QV5
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![BU of 4qv5 by Molmil](/molmil-images/mine/4qv5) | yCP beta5-M45I mutant | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-14 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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6G7F
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![BU of 6g7f by Molmil](/molmil-images/mine/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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4QW7
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![BU of 4qw7 by Molmil](/molmil-images/mine/4qw7) | yCP beta5-M45T mutant in complex with carfilzomib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-16 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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4QV4
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![BU of 4qv4 by Molmil](/molmil-images/mine/4qv4) | yCP beta5-M45T mutant | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-14 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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