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7Z06
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BU of 7z06 by Molmil
Structure of YwlG (Q2FF14) from Staphylococcus aureus
Descriptor: SULFATE ION, UPF0340 protein SAUSA300_2068
Authors:Schneider, S, Scheidler, C.M, Sieber, S.A.
Deposit date:2022-02-22
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Bidirectional sequestration between a bacterial hibernation factor and a glutamate metabolizing protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
3QWD
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BU of 3qwd by Molmil
Crystal structure of ClpP from Staphylococcus aureus
Descriptor: ATP-dependent Clp protease proteolytic subunit, CHLORIDE ION
Authors:Geiger, S.R, Boettcher, T, Sieber, S.A, Cramer, P.
Deposit date:2011-02-28
Release date:2011-05-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Conformational Switch Underlies ClpP Protease Function.
Angew.Chem.Int.Ed.Engl., 50, 2011
8OLL
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BU of 8oll by Molmil
Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.7 A resolution
Descriptor: ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound)
Authors:Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H.
Deposit date:2023-03-30
Release date:2023-12-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
8OLR
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BU of 8olr by Molmil
Structure of yeast 20S proteasome in complex with the natural product beta-lactone inhibitor Cystargolide A
Descriptor: CHLORIDE ION, Cystargolide A (bound), MAGNESIUM ION, ...
Authors:Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H.
Deposit date:2023-03-30
Release date:2023-12-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
8R04
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BU of 8r04 by Molmil
Structure of Staphylococcus aureus ClpP Bound to the Covalent Active Site Inhibitor Cystargolide A
Descriptor: ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound)
Authors:Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H.
Deposit date:2023-10-30
Release date:2023-12-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
8R03
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BU of 8r03 by Molmil
Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.0 A resolution
Descriptor: 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound)
Authors:Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H.
Deposit date:2023-10-30
Release date:2023-12-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
8R05
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BU of 8r05 by Molmil
Photorhabdus lamondii ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.5 A resolution
Descriptor: ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound)
Authors:Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H.
Deposit date:2023-10-30
Release date:2023-12-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
4R17
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BU of 4r17 by Molmil
Ligand-induced aziridine-formation at subunit beta5 of the yeast 20S proteasome
Descriptor: (2S,3S)-3-methylaziridine-2-carboxylic acid, MAGNESIUM ION, Proteasome subunit alpha type-1, ...
Authors:Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M.
Deposit date:2014-08-04
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
4R18
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BU of 4r18 by Molmil
Ligand-induced Lys33-Thr1 crosslinking at subunit beta5 of the yeast 20S proteasome
Descriptor: ALPHA-AMINOBUTYRIC ACID, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ...
Authors:Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M.
Deposit date:2014-08-04
Release date:2014-10-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
4RYF
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BU of 4ryf by Molmil
ClpP1/2 heterocomplex from Listeria monocytogenes
Descriptor: ATP-dependent Clp protease proteolytic subunit, MALONATE ION, SODIUM ION
Authors:Dahmen, M, Vielberg, M.-T, Groll, M, Sieber, S.A.
Deposit date:2014-12-15
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and mechanism of the caseinolytic protease ClpP1/2 heterocomplex from Listeria monocytogenes.
Angew.Chem.Int.Ed.Engl., 54, 2015
4LQI
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BU of 4lqi by Molmil
Yeast 20S Proteasome in complex with Vibralactone
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:List, A, Zeiler, E, Gallastegui, N, Rusch, M, Hedberg, C, Sieber, S.A, Groll, M.
Deposit date:2013-07-18
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Omuralide and Vibralactone: Differences in the Proteasome-beta-Lactone-gamma-Lactam Binding Scaffold Alter Target Preferences.
Angew.Chem.Int.Ed.Engl., 53, 2014
4MXI
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BU of 4mxi by Molmil
ClpP Ser98dhA
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Gersch, M, Kolb, R, Alte, F, Groll, M, Sieber, S.A.
Deposit date:2013-09-26
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Disruption of Oligomerization and Dehydroalanine Formation as Mechanisms for ClpP Protease Inhibition.
J.Am.Chem.Soc., 136, 2014
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
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
6G56
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BU of 6g56 by Molmil
Apo-structure of the alanine racemase from Staphylococcus aureus
Descriptor: Alanine racemase 1, GLYCEROL, SULFATE ION
Authors:Hoegl, A, Sieber, S.A, Schneider, S.
Deposit date:2018-03-29
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mining the cellular inventory of pyridoxal phosphate-dependent enzymes with functionalized cofactor mimics.
Nat Chem, 10, 2018
6G59
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BU of 6g59 by Molmil
Structure of the alanine racemase from Staphylococcus aureus in complex with an pyridoxal-6- phosphate derivative
Descriptor: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate, Alanine racemase 1, CHLORIDE ION, ...
Authors:Hoegl, A, Sieber, S.A, Schneider, S.
Deposit date:2018-03-29
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mining the cellular inventory of pyridoxal phosphate-dependent enzymes with functionalized cofactor mimics.
Nat Chem, 10, 2018
6G58
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BU of 6g58 by Molmil
Structure of the alanine racemase from Staphylococcus aureus in complex with a pyridoxal 5' phosphate-derivative
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate, ...
Authors:Hoegl, A, Sieber, S.A, Schneider, S.
Deposit date:2018-03-29
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mining the cellular inventory of pyridoxal phosphate-dependent enzymes with functionalized cofactor mimics.
Nat Chem, 10, 2018
5BPK
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BU of 5bpk by Molmil
Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases
Descriptor: (2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid, 1,2-ETHANEDIOL, Gamma-glutamyltranspeptidase (Ggt)
Authors:Bolz, C, Bach, N.C, Meyer, H, Mueller, G, Dawidowski, M, Popowicz, G, Sieber, S.A, Skerra, A, Gerhard, M.
Deposit date:2015-05-28
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases
To Be Published
6H23
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BU of 6h23 by Molmil
Crystal structure of the hClpP Y118A mutant with an activating small molecule
Descriptor: 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
Authors:Kick, L.M, Sieber, S.A, Schneider, S.
Deposit date:2018-07-13
Release date:2018-08-29
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.089 Å)
Cite:Selective Activation of Human Caseinolytic Protease P (ClpP).
Angew. Chem. Int. Ed. Engl., 57, 2018
5AC0
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BU of 5ac0 by Molmil
ovis aries Aldehyde Dehydrogenase 1A1 in complex with a duocarmycin analog
Descriptor: 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A.
Deposit date:2015-08-10
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
5AC1
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BU of 5ac1 by Molmil
Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor
Descriptor: 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, RETINAL DEHYDROGENASE 1, ...
Authors:Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A.
Deposit date:2015-08-11
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
5ABM
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BU of 5abm by Molmil
Sheep aldehyde dehydrogenase 1A1
Descriptor: MAGNESIUM ION, RETINAL DEHYDROGENASE 1, [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
Authors:Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A.
Deposit date:2015-08-07
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
5AC2
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BU of 5ac2 by Molmil
human aldehyde dehydrogenase 1A1 with duocarmycin analog
Descriptor: 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, RETINAL DEHYDROGENASE 1, YTTERBIUM (III) ION, ...
Authors:Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A.
Deposit date:2015-08-11
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
2M0G
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BU of 2m0g by Molmil
Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition
Descriptor: Splicing factor 1, Splicing factor U2AF 65 kDa subunit
Authors:Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A.
Deposit date:2012-10-25
Release date:2013-01-30
Method:SOLUTION NMR
Cite:Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition.
Nucleic Acids Res., 41, 2013

 

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