4QZ2
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![BU of 4qz2 by Molmil](/molmil-images/mine/4qz2) | yCP beta5-M45I mutant in complex with the epoxyketone inhibitor 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: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-27 | 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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3GPJ
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![BU of 3gpj by Molmil](/molmil-images/mine/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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3OKJ
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![BU of 3okj by Molmil](/molmil-images/mine/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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4YA7
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8CVR
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![BU of 8cvr by Molmil](/molmil-images/mine/8cvr) | Human 20S proteasome with MG-132 | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Zhao, J. | Deposit date: | 2022-05-18 | Release date: | 2022-11-02 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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4Y74
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![BU of 4y74 by Molmil](/molmil-images/mine/4y74) | Yeast 20S proteasome in complex with Ac-LAL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAL-ep, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2015-02-13 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4X6Z
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![BU of 4x6z by Molmil](/molmil-images/mine/4x6z) | Yeast 20S proteasome in complex with PR-VI modulator | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rostankowski, R, Witkowska, J, Borek, D, Otwinowski, Z, Jankowska, E. | Deposit date: | 2014-12-09 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures revealed the common place of binding of low-molecular
mass activators with the 20S proteasome To Be Published
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3SDK
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![BU of 3sdk by Molmil](/molmil-images/mine/3sdk) | Structure of yeast 20S open-gate proteasome with Compound 34 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide, ... | Authors: | Sintchak, M.D. | Deposit date: | 2011-06-09 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 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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5L5V
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5CZ6
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![BU of 5cz6 by Molmil](/molmil-images/mine/5cz6) | Yeast 20S proteasome beta5-T1A mutant in complex with Syringolin A, propeptide expressed in trans | 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, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-07-31 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
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6HV3
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![BU of 6hv3 by Molmil](/molmil-images/mine/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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6HW6
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![BU of 6hw6 by Molmil](/molmil-images/mine/6hw6) | Yeast 20S proteasome in complex with 20 | Descriptor: | MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | 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 (2.7 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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5L64
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5L60
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5L69
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![BU of 5l69 by Molmil](/molmil-images/mine/5l69) | Yeast 20S proteasome with mouse beta5i (1-138) and mouse 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 (2.7 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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4NO8
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![BU of 4no8 by Molmil](/molmil-images/mine/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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4INR
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![BU of 4inr by Molmil](/molmil-images/mine/4inr) | 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
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5L63
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![BU of 5l63 by Molmil](/molmil-images/mine/5l63) | Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 17 | 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 (2.7 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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4Y8O
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![BU of 4y8o by Molmil](/molmil-images/mine/4y8o) | |
4Y6Z
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![BU of 4y6z by Molmil](/molmil-images/mine/4y6z) | Yeast 20S proteasome in complex with Ac-PAL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PAL-ep, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2015-02-13 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4Y8T
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![BU of 4y8t by Molmil](/molmil-images/mine/4y8t) | |
4YA2
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![BU of 4ya2 by Molmil](/molmil-images/mine/4ya2) | |
5L5Z
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![BU of 5l5z by Molmil](/molmil-images/mine/5l5z) | |
5L52
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![BU of 5l52 by Molmil](/molmil-images/mine/5l52) | Yeast 20S proteasome in complex with epoxyketone inhibitor 14 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2016-05-27 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 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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5L5Y
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![BU of 5l5y by Molmil](/molmil-images/mine/5l5y) | |