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6HLM
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BU of 6hlm by Molmil
Variant G129D of NuoEF from Aquifex aeolicus bound to NAD+
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
5LDB
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BU of 5ldb by Molmil
Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N.
登録日2016-06-24
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5LOG
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BU of 5log by Molmil
Crystal Structure of SafC from Myxococcus xanthus bound to SAM
分子名称: CHLORIDE ION, L-DOPAMINE, MAGNESIUM ION, ...
著者Gerhardt, S, Netzer, J, Einsle, O.
登録日2016-08-09
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Functional and structural characterisation of a bacterial O-methyltransferase and factors determining regioselectivity.
FEBS Lett., 591, 2017
5LCD
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BU of 5lcd by Molmil
Structure of Polyphosphate Kinase from Meiothermus ruber bound to AMP
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N.
登録日2016-06-21
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5LD1
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BU of 5ld1 by Molmil
Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N.
登録日2016-06-23
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6H1D
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BU of 6h1d by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH
分子名称: HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
登録日2018-07-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
1L5H
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BU of 1l5h by Molmil
FeMo-cofactor Deficient Nitrogenase MoFe Protein
分子名称: CALCIUM ION, FE(8)-S(7) CLUSTER, nitrogenase molybdenum-iron protein alpha chain, ...
著者Schmid, B, Ribbe, M.W, Einsle, O, Yoshida, M, Thomas, L.M, Dean, D.R, Rees, D.C, Burgess, B.K.
登録日2002-03-06
公開日2002-04-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a cofactor-deficient nitrogenase MoFe protein.
Science, 296, 2002
1M2A
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BU of 1m2a by Molmil
Crystal structure at 1.5 Angstroms resolution of the wild type thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus
分子名称: FE2/S2 (INORGANIC) CLUSTER, SULFATE ION, ZINC ION, ...
著者Yeh, A.P, Ambroggio, X.I, Andrade, S.L.A, Einsle, O, Chatelet, C, Meyer, J, Rees, D.C.
登録日2002-06-22
公開日2002-09-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
1M1Y
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BU of 1m1y by Molmil
Chemical Crosslink of Nitrogenase MoFe Protein and Fe Protein
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
著者Schmid, B, Einsle, O, Chiu, H.J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C.
登録日2002-06-20
公開日2003-02-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4- Stabilized Structure
Biochemistry, 41, 2002
1M2D
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BU of 1m2d by Molmil
Crystal structure at 1.05 Angstroms resolution of the Cys59Ser variant of the thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus
分子名称: FE2/S2 (INORGANIC) CLUSTER, [2Fe-2S] ferredoxin
著者Yeh, A.P, Ambroggio, X.I, Andrade, S.L.A, Einsle, O, Chatelet, C, Meyer, J, Rees, D.C.
登録日2002-06-22
公開日2002-09-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献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
1M34
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BU of 1m34 by Molmil
Nitrogenase Complex From Azotobacter Vinelandii Stabilized By ADP-Tetrafluoroaluminate
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Schmid, B, Einsle, O, Chiu, H.-J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C.
登録日2002-06-27
公開日2003-02-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4 Stabilized structure
Biochemistry, 41, 2002
1M2B
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BU of 1m2b by Molmil
Crystal structure at 1.25 Angstroms resolution of the Cys55Ser variant of the thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus
分子名称: FE2/S2 (INORGANIC) CLUSTER, [2Fe-2S] ferredoxin
著者Yeh, A.P, Ambroggio, X.I, Andrade, S.L.A, Einsle, O, Chatelet, C, Meyer, J, Rees, D.C.
登録日2002-06-22
公開日2002-09-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献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
4OQY
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BU of 4oqy by Molmil
Streptomyces sp. GF3546 imine reductase
分子名称: (S)-imine reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O.
登録日2014-02-10
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces.
CHEMCATCHEM, 2014
4OQZ
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BU of 4oqz by Molmil
Streptomyces aurantiacus imine reductase
分子名称: Putative oxidoreductase YfjR
著者Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O.
登録日2014-02-10
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces.
CHEMCATCHEM, 2014
4RIE
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BU of 4rie by Molmil
Landomycin Glycosyltransferase LanGT2
分子名称: Glycosyl transferase homolog
著者Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
登録日2014-10-06
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RIF
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BU of 4rif by Molmil
Landomycin Glycosyltransferase LanGT2, carbasugar substrate complex
分子名称: 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
著者Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
登録日2014-10-06
公開日2015-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RIG
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BU of 4rig by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac
分子名称: Glycosyl transferase, MAGNESIUM ION
著者Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
登録日2014-10-06
公開日2015-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RIH
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BU of 4rih by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex
分子名称: 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
著者Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
登録日2014-10-06
公開日2015-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RII
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BU of 4rii by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, TDP complex
分子名称: Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE
著者Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
登録日2014-10-06
公開日2015-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RMG
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BU of 4rmg by Molmil
Human Sirt2 in complex with SirReal2 and NAD+
分子名称: 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, ...
著者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.
登録日2014-10-21
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4RKM
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BU of 4rkm by Molmil
Wolinella succinogenes octaheme sulfite reductase MccA, form I
分子名称: (R,R)-2,3-BUTANEDIOL, ACETATE ION, COPPER (I) ION, ...
著者Hermann, B, Kern, M, La Pietra, L, Simon, J, Einsle, O.
登録日2014-10-13
公開日2015-02-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The octahaem MccA is a haem c-copper sulfite reductase.
Nature, 520, 2015
4RKN
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BU of 4rkn by Molmil
Wolinella succinogenes octaheme sulfite reductase MccA, form II
分子名称: COPPER (II) ION, DITHIONITE, MccA, ...
著者Hermann, B, Kern, M, La Pietra, L, Simon, J, Einsle, O.
登録日2014-10-13
公開日2015-02-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The octahaem MccA is a haem c-copper sulfite reductase.
Nature, 520, 2015
7ADR
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BU of 7adr by Molmil
CO bound as bridging ligand at the active site of vanadium nitrogenase VFe protein
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
著者Rohde, M, Grunau, K, Einsle, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
7ADY
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BU of 7ady by Molmil
CO-removed state of the active site of vanadium nitrogenase VFe protein
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
著者Rohde, M, Grunau, K, Einsle, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
5MAQ
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BU of 5maq by Molmil
Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ADP and PPi
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PYROPHOSPHATE, ...
著者Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N.
登録日2016-11-04
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献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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