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5JHS
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BU of 5jhs by Molmil
Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 15
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2016-04-21
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
3UNE
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BU of 3une by Molmil
Mouse constitutive 20S proteasome
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
Deposit date:2011-11-15
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
8CRI
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BU of 8cri by Molmil
Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LIPOIC ACID, ...
Authors:Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
Deposit date:2023-03-08
Release date:2023-06-07
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CRJ
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BU of 8crj by Molmil
Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes)
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, ...
Authors:Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
Deposit date:2023-03-08
Release date:2023-06-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CRL
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BU of 8crl by Molmil
Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
Deposit date:2023-03-08
Release date:2023-06-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
4FEI
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BU of 4fei by Molmil
Hsp17.7 from Deinococcus radiodurans
Descriptor: Heat shock protein-related protein
Authors:Bepperling, A, Alte, F, Kriehuber, T, Braun, N, Weinkauf, S, Groll, M, Haslbeck, M, Buchner, J.
Deposit date:2012-05-30
Release date:2012-12-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Alternative bacterial two-component small heat shock protein systems.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UTD
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BU of 3utd by Molmil
Ec_IspH in complex with 4-oxopentyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-25
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
8BW1
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BU of 8bw1 by Molmil
Yeast 20S proteasome in complex with an engineered fellutamide derivative (C14QAL)
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bozhueyuek, K.A.J, Praeve, L, Kegler, C, Kaiser, S, Shi, Y, Kuttenlochner, W, Schenk, L, Groll, M, Hochberg, G.K.A, Bode, H.B.
Deposit date:2022-12-06
Release date:2023-12-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Evolution-inspired engineering of nonribosomal peptide synthetases.
Science, 383, 2024
4NAL
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BU of 4nal by Molmil
Arabidopsis thaliana IspD in complex with tribromodichloro-pseudilin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ...
Authors:Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F.
Deposit date:2013-10-22
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NAI
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BU of 4nai by Molmil
Arabidopsis thaliana IspD apo
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ...
Authors:Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F.
Deposit date:2013-10-22
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NAK
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BU of 4nak by Molmil
Arabidopsis thaliana IspD in complex with pentabromo-pseudilin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F.
Deposit date:2013-10-22
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NAN
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BU of 4nan by Molmil
Arabidopsis thaliana IspD in complex with tetrabromo-pseudilin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F.
Deposit date:2013-10-22
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
5FG9
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BU of 5fg9 by Molmil
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
5FHS
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BU of 5fhs by Molmil
Yeast 20S proteasome beta5-K33A mutant (propeptide expressed in trans) in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-12-22
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
5FGF
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BU of 5fgf by Molmil
Yeast 20S proteasome beta5-H(-2)A-T1A-K81R triple mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
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
5FG7
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BU of 5fg7 by Molmil
Yeast 20S proteasome beta2-T1A mutant
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
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 (2.7 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5FGG
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BU of 5fgg by Molmil
Yeast 20S proteasome beta5-L(-49S)_D17N double mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
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 (2.7 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5FGD
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BU of 5fgd by Molmil
Yeast 20S proteasome beta5-H(-2)L-T1A double mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
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 (2.8 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5FGI
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BU of 5fgi by Molmil
Yeast 20S proteasome beta1-T1A beta2-T1A double mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
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 (2.9 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
1MT3
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BU of 1mt3 by Molmil
Crystal Structure of the Tricorn Interacting Factor Selenomethionine-F1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proline iminopeptidase
Authors:Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
Deposit date:2002-09-20
Release date:2002-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
1MTZ
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BU of 1mtz by Molmil
Crystal Structure of the Tricorn Interacting Factor F1
Descriptor: Proline iminopeptidase
Authors:Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
Deposit date:2002-09-23
Release date:2002-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
1MU0
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BU of 1mu0 by Molmil
Crystal Structure of the Tricorn Interacting Factor F1 Complex with PCK
Descriptor: (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL, Proline iminopeptidase
Authors:Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
Deposit date:2002-09-23
Release date:2002-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
6EK4
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BU of 6ek4 by Molmil
PaxB from Photorhabdus luminescens
Descriptor: PaxB, SODIUM ION
Authors:Braeuning, B, Groll, M.
Deposit date:2017-09-25
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
6EL1
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BU of 6el1 by Molmil
YaxAB pore complex
Descriptor: YaxA, YaxB
Authors:Braeuning, B, Bertosin, E, Dietz, H, Groll, M.
Deposit date:2017-09-27
Release date:2018-05-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
6EK7
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BU of 6ek7 by Molmil
YaxA from Yersinia enterocolitica
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, YaxA
Authors:Braeuning, B, Groll, M.
Deposit date:2017-09-25
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018

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