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PDB: 631 results

5DAV
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BU of 5dav by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxydehydrocyclopeptin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE 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 (1.8 Å)
Cite:Structure of the Dioxygenase AsqJ: Mechanistic Insights into a One-Pot Multistep Quinolone Antibiotic Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5OA4
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BU of 5oa4 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with 4-methoxycyclopeptin (1)
Descriptor: (3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Groll, M, Braeuer, A, Kaila, V.R.I.
Deposit date:2017-06-20
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
5OA7
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BU of 5oa7 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I 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:2017-06-21
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
5OA8
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BU of 5oa8 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d)
Descriptor: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
Authors:Groll, M, Braeuer, A, Kaila, V.R.I.
Deposit date:2017-06-21
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
4Y6Z
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BU of 4y6z by Molmil
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
4Y74
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BU of 4y74 by Molmil
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
6H39
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BU of 6h39 by Molmil
Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor RTS-V5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Groll, M, Hansen, F.K.
Deposit date:2018-07-17
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018
5L5Q
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BU of 5l5q by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone 18
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM 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
5L66
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BU of 5l66 by Molmil
Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
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
5L5O
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BU of 5l5o by Molmil
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
5L65
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BU of 5l65 by Molmil
Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM 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 (2.9 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
5L5H
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BU of 5l5h by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with PR-924
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM 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
5L5V
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BU of 5l5v by Molmil
'Yeast 20S proteasome with human beta5i (1-138; V31M) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 18
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
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
5L6B
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BU of 5l6b by Molmil
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
5L5D
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BU of 5l5d by Molmil
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
5L5X
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BU of 5l5x by Molmil
Yeast 20S proteasome with human beta5c (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 (2.9 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
5L5P
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BU of 5l5p by Molmil
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
5L64
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BU of 5l64 by Molmil
Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 18
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM 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
5LAJ
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BU of 5laj by Molmil
Ligand-induced Lys33-Thr1 crosslinking at the yeast proteasomal subunit beta5 by sulfonate esters
Descriptor: MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Groll, M, Dubiella, C, Cui, H.
Deposit date:2016-06-14
Release date:2017-04-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Tunable Probes with Direct Fluorescence Signals for the Constitutive and Immunoproteasome.
Angew. Chem. Int. Ed. Engl., 55, 2016
5L5B
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BU of 5l5b by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133)
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
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
5L5W
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BU of 5l5w by Molmil
Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133)
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
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
5L5F
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BU of 5l5f by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
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 (2.5 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
5L5Z
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BU of 5l5z by Molmil
Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133) in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
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
5L54
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BU of 5l54 by Molmil
Yeast 20S proteasome 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:2016-05-27
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
5L6C
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BU of 5l6c by Molmil
Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 18
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM 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

224004

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