Author results

6H23
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CRYSTAL STRUCTURE OF THE HCLPP Y118A MUTANT WITH AN ACTIVATING SMALL MOLECULE
Descriptor:ATP-dependent Clp protease proteolytic subunit, mitochondrial, ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide, ...
Authors:Kick, L.M., Sieber, S.A., Schneider, S.
Deposit date:2018-07-13
Release date:2018-08-29
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (3.089 Å)
Cite:Selective Activation of Human Caseinolytic Protease P (ClpP).
Angew. Chem. Int. Ed. Engl., 57, 2018
6G56
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APO-STRUCTURE OF THE ALANINE RACEMASE FROM STAPHYLOCOCCUS AUREUS
Descriptor:Alanine racemase 1, SULFATE ION, GLYCEROL
Authors:Hoegl, A., Sieber, S.A., Schneider, S.
Deposit date:2018-03-29
Release date:2018-05-30
Last modified:2018-12-05
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
6G58
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STRUCTURE OF THE ALANINE RACEMASE FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH A PYRIDOXAL 5' PHOSPHATE-DERIVATIVE
Descriptor:Alanine racemase 1, (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate, SODIUM ION, ...
Authors:Hoegl, A., Sieber, S.A., Schneider, S.
Deposit date:2018-03-29
Release date:2018-05-30
Last modified:2018-12-05
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
6G59
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STRUCTURE OF THE ALANINE RACEMASE FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH AN PYRIDOXAL-6- PHOSPHATE DERIVATIVE
Descriptor:Alanine racemase 1, (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate, SULFATE ION, ...
Authors:Hoegl, A., Sieber, S.A., Schneider, S.
Deposit date:2018-03-29
Release date:2018-05-30
Last modified:2018-12-05
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
6CFD
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ADEP4 BOUND TO E. FAECIUM CLPP
Descriptor:ATP-dependent Clp protease proteolytic subunit, (4S)-2-METHYL-2,4-PENTANEDIOL, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide
Authors:Lee, R.E., Griffith, E.C.
Deposit date:2018-02-14
Release date:2018-05-16
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
5W18
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STAPHYLOCOCCUS AUREUS CLPP IN COMPLEX WITH (S)-N-((2R,6S,8AS,14AS,20S,23AS)-2,6-DIMETHYL-5,8,14,19,23-PENTAOXOOCTADECAHYDRO-1H,5H,14H,19H-PYRIDO[2,1-I]DIPYRROLO[2,1-C:2',1'-L][1]OXA[4,7,10,13]TETRAAZACYCLOHEXADECIN-20-YL)-3-PHENYL-2-(3-PHENYLUREIDO)PROPANAMIDE
Descriptor:ATP-dependent Clp protease proteolytic subunit, 9V7-PHE-SER-PRO-YCP-ALA-MP8
Authors:Lee, R.E., Griffith, E.C.
Deposit date:2017-06-02
Release date:2017-08-09
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Design and Synthesis of Urea Depsipeptide as ClpP Activators
To Be Published
5VZ2
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STRUCTURE OF CLPP FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH ACYLDEPSIPEPTIDE
Descriptor:ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide
Authors:Griffith, E.C., Lee, R.E.
Deposit date:2017-05-26
Release date:2017-06-21
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Design and Synthesis of Urea Depsipeptides as ClpP Activators
To Be Published
5LP2
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ADHESIN DOMAIN OF THE TYPE 1 HOPQ OF HELICOBACTER PYLORI STRAIN G27
Descriptor:HopQ
Authors:Moonens, K., Kruse, T., Gerhard, M., Remaut, H.
Deposit date:2016-08-11
Release date:2016-10-12
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Helicobacter pylori adhesin HopQ engages in a virulence-enhancing interaction with human CEACAMs.
Nat Microbiol, 2, 2016
5LIR
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STRUCTURE OF THE SALTY SIGMA CROSS-REACTING PROTEIN 27A (SCRP-27A) FROM SALMONELLA TYPHIMURIUM
Descriptor:Sigma cross-reacting protein 27A (SCRP-27A), DI(HYDROXYETHYL)ETHER
Authors:Schneider, S., Mandel, M., Sieber, S.A.
Deposit date:2016-07-15
Release date:2016-09-14
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Natural-Product-Inspired Aminoepoxybenzoquinones Kill Members of the Gram-Negative Pathogen Salmonella by Attenuating Cellular Stress Response.
Angew.Chem.Int.Ed.Engl., 55, 2016
5DL1
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CLPP FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH AV145
Descriptor:ATP-dependent Clp protease proteolytic subunit, 1-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
Authors:Vielberg, M.-T., Groll, M.
Deposit date:2015-09-04
Release date:2015-11-25
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reversible Inhibitors Arrest ClpP in a Defined Conformational State that Can Be Revoked by ClpX Association.
Angew.Chem.Int.Ed.Engl., 54, 2015
5AC1
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SHEEP ALDEHYDE DEHYDROGENASE 1A1 WITH DUOCARMYCIN ANALOG INHIBITOR
Descriptor:RETINAL DEHYDROGENASE 1, 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(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:2015-08-11
Release date:2015-08-26
Last modified:2018-06-20
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
5AC2
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HUMAN ALDEHYDE DEHYDROGENASE 1A1 WITH DUOCARMYCIN ANALOG
Descriptor:RETINAL DEHYDROGENASE 1, 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, 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:2015-11-18
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
5AC0
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OVIS ARIES ALDEHYDE DEHYDROGENASE 1A1 IN COMPLEX WITH A DUOCARMYCIN ANALOG
Descriptor:RETINAL DEHYDROGENASE 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, ...
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:2015-11-18
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
5ABM
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SHEEP ALDEHYDE DEHYDROGENASE 1A1
Descriptor: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-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate, MAGNESIUM ION
Authors:Koch, M.F., Harteis, S., Blank, I.D., Pestel, G., Tietze, L.F., Ochsenfeld, C., Schneider, S., Sieber, S.A.
Deposit date:2015-08-07
Release date:2015-09-16
Last modified:2015-11-18
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
5BPK
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VARYING BINDING MODES OF INHIBITORS AND STRUCTURAL DIFFERENCES IN THE BINDING POCKETS OF DIFFERENT GAMMA-GLUTAMYLTRANSPEPTIDASES
Descriptor:Gamma-glutamyltranspeptidase (Ggt), 1,2-ETHANEDIOL, (2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
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
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
4RYF
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CLPP1/2 HETEROCOMPLEX FROM LISTERIA MONOCYTOGENES
Descriptor:ATP-dependent Clp protease proteolytic subunit, SODIUM ION, MALONATE ION
Authors:Dahmen, M., Vielberg, M.-T., Groll, M., Sieber, S.A.
Deposit date:2014-12-15
Release date:2014-12-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:ClpP12 heterocomplex from Listeria monocytogenes
to be published
4R17
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LIGAND-INDUCED AZIRIDINE-FORMATION AT SUBUNIT BETA5 OF THE YEAST 20S PROTEASOME
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
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:2014-11-05
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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LIGAND-INDUCED LYS33-THR1 CROSSLINKING AT SUBUNIT BETA5 OF THE YEAST 20S PROTEASOME
Descriptor:PROTEASOME SUBUNIT ALPHA TYPE-2, PROTEASOME SUBUNIT ALPHA TYPE-3, PROTEASOME SUBUNIT ALPHA TYPE-4, ...
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:2014-11-05
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
4MXI
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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:2014-02-12
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
4C5J
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STRUCTURE OF THE PYRIDOXAL KINASE FROM STAPHYLOCOCCUS AUREUS
Descriptor:PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION
Authors:Nodwell, M., Alte, F., Sieber, S.A., Schneider, S.
Deposit date:2013-09-12
Release date:2014-03-19
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
4C5K
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STRUCTURE OF THE PYRIDOXAL KINASE FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH ADP
Descriptor:PHOSPHOMETHYLPYRIMIDINE KINASE, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION
Authors:Nodwell, M., Alte, F., Sieber, S.A., Schneider, S.
Deposit date:2013-09-12
Release date:2014-03-19
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
4C5L
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STRUCTURE OF THE PYRIDOXAL KINASE FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH PYRIDOXAL
Descriptor:PHOSPHOMETHYLPYRIMIDINE KINASE, 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol, SULFATE ION, ...
Authors:Nodwell, M., Alte, F., Sieber, S.A., Schneider, S.
Deposit date:2013-09-12
Release date:2014-03-19
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
4C5M
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STRUCTURE OF THE PYRIDOXAL KINASE FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH AMP-PCP
Descriptor:PHOSPHOMETHYLPYRIMIDINE KINASE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Nodwell, M., Alte, F., Sieber, S.A., Schneider, S.
Deposit date:2013-09-12
Release date:2014-03-19
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
4C5N
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STRUCTURE OF THE PYRIDOXAL KINASE FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH AMP-PCP AND PYRIDOXAL
Descriptor:PHOSPHOMETHYLPYRIMIDINE KINASE, 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Nodwell, M., Alte, F., Sieber, S.A., Schneider, S.
Deposit date:2013-09-12
Release date:2014-03-19
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
4LQI
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YEAST 20S PROTEASOME IN COMPLEX WITH VIBRALACTONE
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
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:2014-01-22
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
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