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4TKV
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CO-bound Nitrogenase MoFe-protein from A. vinelandii
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CARBON MONOXIDE, FE (II) ION, ...
著者Spatzal, T, Perez, K, Einsle, O, Howard, J.B, Rees, D.C.
登録日2014-05-28
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ligand binding to the FeMo-cofactor: structures of CO-bound and reactivated nitrogenase.
Science, 345, 2014
4RMI
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BU of 4rmi by Molmil
Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide
分子名称: Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ...
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
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4RMJ
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Human Sirt2 in complex with ADP ribose and nicotinamide
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ...
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 (1.87 Å)
主引用文献Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4RMH
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Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide
分子名称: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ...
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 (1.42 Å)
主引用文献Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4V4E
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BU of 4v4e by Molmil
Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with inhibitor 1,2,4,5-tetrahydroxy-benzene
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,4,5-TETROL, CALCIUM ION, ...
著者Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H.
登録日2004-06-02
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
PROC.NATL.ACAD.SCI.USA, 101, 2004
4V4C
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Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, CALCIUM ION, ...
著者Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H.
登録日2004-06-02
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
PROC.NATL.ACAD.SCI.USA, 101, 2004
6Y77
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BU of 6y77 by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H326A
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINUCLEAR COPPER ION, FORMIC ACID, ...
著者Zhang, L, Kroneck, P.M.H, Einsle, O.
登録日2020-02-28
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
6Y72
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Pseudomonas stutzeri nitrous oxide reductase mutant, H178A
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Zhang, L, Kroneck, P.M.H, Einsle, O.
登録日2020-02-27
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
6FEA
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BU of 6fea by Molmil
A. vinelandii vanadium nitrogenase, turnover state
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CARBONATE ION, FE(8)-S(7) CLUSTER, ...
著者Sippel, D, Einsle, O.
登録日2017-12-31
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A bound reaction intermediate sheds light on the mechanism of nitrogenase.
Science, 359, 2018
6Y71
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Pseudomonas stutzeri nitrous oxide reductase mutant, H130A
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Zhang, L, Kroneck, P.M.H, Einsle, O.
登録日2020-02-27
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
6Y6Y
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BU of 6y6y by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H129A
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Zhang, L, Kroneck, P.M.H, Einsle, O.
登録日2020-02-27
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
6Y7E
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BU of 6y7e by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H494A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Zhang, L, Kroneck, P.M.H, Einsle, O.
登録日2020-02-28
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
6Y7D
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Pseudomonas stutzeri nitrous oxide reductase mutant, H433A
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Zhang, L, Kroneck, P.M.H, Einsle, O.
登録日2020-02-28
公開日2021-01-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
6Q93
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MgADP-bound Fe protein of Vanadium nitrogenase from Azotobacter vinelandii
分子名称: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Rohde, M, Gerhardt, S, Einsle, O.
登録日2018-12-17
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of VnfH, the iron protein component of vanadium nitrogenase.
J. Biol. Inorg. Chem., 23, 2018
6H1E
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Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide
分子名称: HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ...
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 (1.9 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
1JVL
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BU of 1jvl by Molmil
Azurin dimer, covalently crosslinked through bis-maleimidomethylether
分子名称: 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE, Azurin, COPPER (II) ION, ...
著者van Amsterdam, I.M.C, Ubbink, M, Einsle, O, Messerschmidt, A, Merli, A, Cavazzini, D, Rossi, G.L, Canters, G.W.
登録日2001-08-30
公開日2002-01-04
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dramatic modulation of electron transfer in protein complexes by crosslinking
Nat.Struct.Biol., 9, 2002
1JVO
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Azurin dimer, crosslinked via disulfide bridge
分子名称: Azurin, COPPER (II) ION
著者van Amsterdam, I.M.C, Ubbink, M, Einsle, O, Messerschmidt, A, Merli, A, Cavazzini, D, Rossi, G.L, Canters, G.W.
登録日2001-08-30
公開日2002-01-04
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Dramatic modulation of electron transfer in protein complexes by crosslinking
Nat.Struct.Biol., 9, 2002
7NDM
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Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound substrate 4-hydroxyisoquinolin-1(2H)-one
分子名称: 4-oxidanyl-2~{H}-isoquinolin-1-one, Heterocyclic toxin methyltransferase (Rv0560c), MALONATE ION, ...
著者Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S.
登録日2021-02-02
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
7NOY
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Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis in complex with substrate 1-hydroxyquinolin-4(1H)-one
分子名称: 1-oxidanylquinolin-4-one, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ...
著者Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S.
登録日2021-02-26
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
7NMK
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Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound methylation product 1-methoxyquinolin-4(1H)-one
分子名称: 1-methoxy-4-oxoquinoline, 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase, FORMIC ACID, ...
著者Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S.
登録日2021-02-23
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.204 Å)
主引用文献Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
7OG7
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Crystal structure of the copper chaperone NosL from Shewanella denitrificans
分子名称: ACETONITRILE, COPPER (I) ION, NosL, ...
著者Prasser, B, Schoener, L, Zhang, L, Einsle, O.
登録日2021-05-06
公開日2021-07-07
最終更新日2021-08-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Copper Chaperone NosL Forms a Heterometal Site for Cu Delivery to Nitrous Oxide Reductase.
Angew.Chem.Int.Ed.Engl., 60, 2021
3JT1
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BU of 3jt1 by Molmil
Legionella pneumophila glucosyltransferase Lgt1, UDP-bound form
分子名称: Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE
著者Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O.
登録日2009-09-11
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
3HQ7
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CcpA from G. sulfurreducens, G94K/K97Q/R100I variant
分子名称: CALCIUM ION, Cytochrome c551 peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Hoffmann, M, Seidel, J, Einsle, O.
登録日2009-06-05
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase.
J.Mol.Biol., 393, 2009
3HQ8
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CcpA from G. sulfurreducens S134P/V135K variant
分子名称: CALCIUM ION, Cytochrome c551 peroxidase, IMIDAZOLE, ...
著者Hoffmann, M, Seidel, J, Einsle, O.
登録日2009-06-05
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase.
J.Mol.Biol., 393, 2009
3HQ9
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CcpA from G. sulfurreducens, S134P variant
分子名称: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, Cytochrome c551 peroxidase, ...
著者Hoffmann, M, Seidel, J, Einsle, O.
登録日2009-06-05
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase.
J.Mol.Biol., 393, 2009

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