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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
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
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
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
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
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
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
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
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
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
4JCQ
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CLPP1 FROM LISTERIA MONOCYTOGENES
Descriptor:ATP-dependent Clp protease proteolytic subunit
Authors:Zeiler, E., List, A., Alte, F., Gersch, M., Wachtel, R., Groll, M., Sieber, S.
Deposit date:2013-02-22
Release date:2013-06-12
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional insights into caseinolytic proteases reveal an unprecedented regulation principle of their catalytic triad.
Proc.Natl.Acad.Sci.USA, 110, 2013
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
3QWD
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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:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Conformational Switch Underlies ClpP Protease Function.
Angew.Chem.Int.Ed.Engl., 50, 2011
4JCR
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CLPP1 N165D MUTANT FROM LISTERIA MONOCYTOGENES
Descriptor:ATP-dependent Clp protease proteolytic subunit
Authors:Zeiler, E., List, A., Alte, F., Gersch, M., Wachtel, R., Groll, M., Sieber, S.
Deposit date:2013-02-22
Release date:2013-06-12
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional insights into caseinolytic proteases reveal an unprecedented regulation principle of their catalytic triad.
Proc.Natl.Acad.Sci.USA, 110, 2013
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
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
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
3V5E
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CRYSTAL STRUCTURE OF CLPP FROM STAPHYLOCOCCUS AUREUS IN THE ACTIVE, EXTENDED CONFORMATION
Descriptor:ATP-dependent Clp protease proteolytic subunit
Authors:Gersch, M., List, A., Groll, M., Sieber, S.
Deposit date:2011-12-16
Release date:2012-02-08
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into structural network responsible for oligomerization and activity of bacterial virulence regulator caseinolytic protease P (ClpP) protein.
J.Biol.Chem., 287, 2012
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
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
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
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
4JCT
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CLPP2 FROM LISTERIA MONOCYTOGENES
Descriptor:ATP-dependent Clp protease proteolytic subunit
Authors:Zeiler, E., List, A., Alte, F., Gersch, M., Wachtel, R., Groll, M., Sieber, S.
Deposit date:2013-02-22
Release date:2013-06-12
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insights into caseinolytic proteases reveal an unprecedented regulation principle of their catalytic triad.
Proc.Natl.Acad.Sci.USA, 110, 2013
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