5D7Q
 
 | | Crystal structure of human Sirt2 in complex with ADPR and CHIC35 | | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | Deposit date: | 2015-08-14 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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5O1L
 | | Structure of Latex Clearing Protein LCP in the open state with bound imidazole | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, IMIDAZOLE, ... | | Authors: | Ilcu, L, Roether, W, Birke, J, Brausemann, A, Einsle, O, Jendrossek, D. | | Deposit date: | 2017-05-18 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural and Functional Analysis of Latex Clearing Protein (Lcp) Provides Insight into the Enzymatic Cleavage of Rubber.
Sci Rep, 7, 2017
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5O6K
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7O0Z
 | | ABC transporter NosFY, nucleotide-free in GDN | | Descriptor: | Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter permease protein NosY | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O13
 | | ABC transporter NosDFY, nucleotide-free in lipid nanodisc | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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5DY4
 | | Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+ | | Descriptor: | N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | Deposit date: | 2015-09-24 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study.
J.Med.Chem., 59, 2016
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5MAQ
 | | Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ADP and PPi | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PYROPHOSPHATE, ... | | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | | Deposit date: | 2016-11-04 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5DY5
 | | Crystal structure of human Sirt2 in complex with a SirReal probe fragment | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | Deposit date: | 2015-09-24 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Development of an Affinity Probe for Sirtuin 2.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5O6M
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5D7O
 | | Crystal structure of Sirt2-ADPR at an improved resolution | | Descriptor: | NAD-dependent protein deacetylase sirtuin-2, TRIETHYLENE GLYCOL, ZINC ION, ... | | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | Deposit date: | 2015-08-14 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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8QOO
 | | Crystal structure of human Sirt2 in complex with the peptide-based pseudo-inhibitor TNFn-4.1 | | Descriptor: | (2S,3R)-3-dodecylsulfanyl-2-methyl-butanoic acid, (2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic acid, (R,R)-2,3-BUTANEDIOL, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-09-29 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Development of potent TNFa-Myr-based pseudo-inhibitors for Sirtuin 2
To Be Published
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8QT0
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 | | Descriptor: | 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT2
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT8
 | | Crystal structure of human Sirt2 in complex with a TNFa-Myr analogue TNFn-34 | | Descriptor: | 3-dodecylsulfanylpropanoic acid, NAD-dependent protein deacetylase sirtuin-2, Peptide-based TNFa-Myr analogue TNFn-34, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT4
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 and NAD+ | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT1
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 | | Descriptor: | (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT3
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+ | | Descriptor: | (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QTU
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 and NAD+ | | Descriptor: | 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-13 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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6ZMQ
 | | Cytochrome c Heme Lyase CcmF | | Descriptor: | Cytochrome C-type biogenesis protein ccmF, DODECYL-BETA-D-MALTOSIDE, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Brausemann, A, Einsle, O. | | Deposit date: | 2020-07-03 | | Release date: | 2021-05-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Architecture of the membrane-bound cytochrome c heme lyase CcmF.
Nat.Chem.Biol., 17, 2021
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7AQ8
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583Y/D576A | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | Deposit date: | 2020-10-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.791 Å) | | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7AQ5
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583N | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | Deposit date: | 2020-10-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7AQ6
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583F | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | Deposit date: | 2020-10-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.514 Å) | | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7AQ3
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583D | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | Deposit date: | 2020-10-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.639 Å) | | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7AQ7
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583Y | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | Deposit date: | 2020-10-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.608 Å) | | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7APY
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | Deposit date: | 2020-10-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.778 Å) | | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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