6HLM
| Variant G129D of NuoEF from Aquifex aeolicus bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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5LDB
| Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | Deposit date: | 2016-06-24 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 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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5LOG
| Crystal Structure of SafC from Myxococcus xanthus bound to SAM | Descriptor: | CHLORIDE ION, L-DOPAMINE, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Netzer, J, Einsle, O. | Deposit date: | 2016-08-09 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Functional and structural characterisation of a bacterial O-methyltransferase and factors determining regioselectivity. FEBS Lett., 591, 2017
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5LCD
| Structure of Polyphosphate Kinase from Meiothermus ruber bound to AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | Deposit date: | 2016-06-21 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.66 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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5LD1
| Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | Deposit date: | 2016-06-23 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 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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6H1D
| Crystal structure of C21orf127-TRMT112 in complex with SAH | Descriptor: | HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | Deposit date: | 2018-07-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells. Nat.Struct.Mol.Biol., 26, 2019
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1L5H
| FeMo-cofactor Deficient Nitrogenase MoFe Protein | Descriptor: | CALCIUM ION, FE(8)-S(7) CLUSTER, nitrogenase molybdenum-iron protein alpha chain, ... | Authors: | Schmid, B, Ribbe, M.W, Einsle, O, Yoshida, M, Thomas, L.M, Dean, D.R, Rees, D.C, Burgess, B.K. | Deposit date: | 2002-03-06 | Release date: | 2002-04-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a cofactor-deficient nitrogenase MoFe protein. Science, 296, 2002
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1M2A
| Crystal structure at 1.5 Angstroms resolution of the wild type thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, SULFATE ION, ZINC ION, ... | Authors: | Yeh, A.P, Ambroggio, X.I, Andrade, S.L.A, Einsle, O, Chatelet, C, Meyer, J, Rees, D.C. | Deposit date: | 2002-06-22 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution crystal structures of the wild type and
Cys-55-->Ser and Cys-59-->Ser variants of the thioredoxin-like
[2Fe-2S] ferredoxin from Aquifex aeolicus J.Biol.Chem., 277, 2002
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1M1Y
| Chemical Crosslink of Nitrogenase MoFe Protein and Fe Protein | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | Authors: | Schmid, B, Einsle, O, Chiu, H.J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C. | Deposit date: | 2002-06-20 | Release date: | 2003-02-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4- Stabilized Structure Biochemistry, 41, 2002
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1M2D
| Crystal structure at 1.05 Angstroms resolution of the Cys59Ser variant of the thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, [2Fe-2S] ferredoxin | Authors: | Yeh, A.P, Ambroggio, X.I, Andrade, S.L.A, Einsle, O, Chatelet, C, Meyer, J, Rees, D.C. | Deposit date: | 2002-06-22 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | High-resolution crystal structures
of the wild type and Cys-55-->Ser and
Cys-59-->Ser variants of the thioredoxin-like
[2Fe-2S] ferredoxin from Aquifex aeolicus J.Biol.Chem., 277, 2002
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1M34
| Nitrogenase Complex From Azotobacter Vinelandii Stabilized By ADP-Tetrafluoroaluminate | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Schmid, B, Einsle, O, Chiu, H.-J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C. | Deposit date: | 2002-06-27 | Release date: | 2003-02-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4 Stabilized structure Biochemistry, 41, 2002
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1M2B
| Crystal structure at 1.25 Angstroms resolution of the Cys55Ser variant of the thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, [2Fe-2S] ferredoxin | Authors: | Yeh, A.P, Ambroggio, X.I, Andrade, S.L.A, Einsle, O, Chatelet, C, Meyer, J, Rees, D.C. | Deposit date: | 2002-06-22 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | High-resolution crystal structures
of the wild type and Cys-55-->Ser and
Cys-59-->Ser variants of the thioredoxin-like
[2Fe-2S] ferredoxin from Aquifex aeolicus J.Biol.Chem., 277, 2002
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4OQY
| Streptomyces sp. GF3546 imine reductase | Descriptor: | (S)-imine reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O. | Deposit date: | 2014-02-10 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces. CHEMCATCHEM, 2014
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4OQZ
| Streptomyces aurantiacus imine reductase | Descriptor: | Putative oxidoreductase YfjR | Authors: | Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O. | Deposit date: | 2014-02-10 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces. CHEMCATCHEM, 2014
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4RIE
| Landomycin Glycosyltransferase LanGT2 | Descriptor: | Glycosyl transferase homolog | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | Deposit date: | 2014-10-06 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2. Angew.Chem.Int.Ed.Engl., 54, 2015
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4RIF
| Landomycin Glycosyltransferase LanGT2, carbasugar substrate complex | Descriptor: | 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | Deposit date: | 2014-10-06 | Release date: | 2015-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2. Angew.Chem.Int.Ed.Engl., 54, 2015
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4RIG
| Chimeric Glycosyltransferase LanGT2S8Ac | Descriptor: | Glycosyl transferase, MAGNESIUM ION | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | Deposit date: | 2014-10-06 | Release date: | 2015-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2. Angew.Chem.Int.Ed.Engl., 54, 2015
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4RIH
| Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex | Descriptor: | 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | Deposit date: | 2014-10-06 | Release date: | 2015-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2. Angew.Chem.Int.Ed.Engl., 54, 2015
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4RII
| Chimeric Glycosyltransferase LanGT2S8Ac, TDP complex | Descriptor: | Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | Deposit date: | 2014-10-06 | Release date: | 2015-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2. Angew.Chem.Int.Ed.Engl., 54, 2015
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4RMG
| Human Sirt2 in complex with SirReal2 and NAD+ | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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4RKM
| Wolinella succinogenes octaheme sulfite reductase MccA, form I | Descriptor: | (R,R)-2,3-BUTANEDIOL, ACETATE ION, COPPER (I) ION, ... | Authors: | Hermann, B, Kern, M, La Pietra, L, Simon, J, Einsle, O. | Deposit date: | 2014-10-13 | Release date: | 2015-02-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The octahaem MccA is a haem c-copper sulfite reductase. Nature, 520, 2015
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4RKN
| Wolinella succinogenes octaheme sulfite reductase MccA, form II | Descriptor: | COPPER (II) ION, DITHIONITE, MccA, ... | Authors: | Hermann, B, Kern, M, La Pietra, L, Simon, J, Einsle, O. | Deposit date: | 2014-10-13 | Release date: | 2015-02-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The octahaem MccA is a haem c-copper sulfite reductase. Nature, 520, 2015
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7ADR
| CO bound as bridging ligand at the active site of vanadium nitrogenase VFe protein | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | Authors: | Rohde, M, Grunau, K, Einsle, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution. Angew.Chem.Int.Ed.Engl., 59, 2020
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7ADY
| CO-removed state of the active site of vanadium nitrogenase VFe protein | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | Authors: | Rohde, M, Grunau, K, Einsle, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution. Angew.Chem.Int.Ed.Engl., 59, 2020
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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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