4LYW
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![BU of 4lyw by Molmil](/molmil-images/mine/4lyw) | Crystal Structure of BRD4(1) bound to inhibitor XD14 | Descriptor: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4LZR
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![BU of 4lzr by Molmil](/molmil-images/mine/4lzr) | Crystal Structure of BRD4(1) bound to Colchicine | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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6I5B
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![BU of 6i5b by Molmil](/molmil-images/mine/6i5b) | Crystal Structure of Outer Cell Wall Cytochrome OcwA | Descriptor: | (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, HEME C, ... | Authors: | Hermann, B, Einsle, O. | Deposit date: | 2018-11-13 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How Thermophilic Gram-Positive Organisms Perform Extracellular Electron Transfer: Characterization of the Cell Surface Terminal Reductase OcwA. Mbio, 10, 2019
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4LZS
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![BU of 4lzs by Molmil](/molmil-images/mine/4lzs) | Crystal Structure of BRD4(1) bound to inhibitor XD46 | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4L4Q
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![BU of 4l4q by Molmil](/molmil-images/mine/4l4q) | Methionine Adenosyltransferase | Descriptor: | S-adenosylmethionine synthase | Authors: | Schlesier, J, Siegrist, J, Gerhardt, S, Andexer, J.N, Einsle, O. | Deposit date: | 2013-06-09 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional characterisation of the methionine adenosyltransferase from Thermococcus kodakarensis. Bmc Struct.Biol., 13, 2013
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4LYS
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![BU of 4lys by Molmil](/molmil-images/mine/4lys) | Crystal Structure of BRD4(1) bound to Colchiceine | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2014-01-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4RKM
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![BU of 4rkm by Molmil](/molmil-images/mine/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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4RMJ
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![BU of 4rmj by Molmil](/molmil-images/mine/4rmj) | Human Sirt2 in complex with ADP ribose and nicotinamide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | 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 (1.87 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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4TKV
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![BU of 4tkv by Molmil](/molmil-images/mine/4tkv) | CO-bound Nitrogenase MoFe-protein from A. vinelandii | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CARBON MONOXIDE, FE (II) ION, ... | Authors: | Spatzal, T, Perez, K, Einsle, O, Howard, J.B, Rees, D.C. | Deposit date: | 2014-05-28 | Release date: | 2014-10-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ligand binding to the FeMo-cofactor: structures of CO-bound and reactivated nitrogenase. Science, 345, 2014
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4OQZ
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![BU of 4oqz by Molmil](/molmil-images/mine/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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4OQY
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![BU of 4oqy by Molmil](/molmil-images/mine/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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7NOY
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![BU of 7noy by Molmil](/molmil-images/mine/7noy) | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis in complex with substrate 1-hydroxyquinolin-4(1H)-one | Descriptor: | 1-oxidanylquinolin-4-one, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ... | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-02-26 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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7NMK
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![BU of 7nmk by Molmil](/molmil-images/mine/7nmk) | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound methylation product 1-methoxyquinolin-4(1H)-one | Descriptor: | 1-methoxy-4-oxoquinoline, 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase, FORMIC ACID, ... | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-02-23 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.204 Å) | Cite: | 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
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7NDM
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![BU of 7ndm by Molmil](/molmil-images/mine/7ndm) | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound substrate 4-hydroxyisoquinolin-1(2H)-one | Descriptor: | 4-oxidanyl-2~{H}-isoquinolin-1-one, Heterocyclic toxin methyltransferase (Rv0560c), MALONATE ION, ... | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-02-02 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | 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
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5MOG
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![BU of 5mog by Molmil](/molmil-images/mine/5mog) | Oryza sativa phytoene desaturase inhibited by norflurazon | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Brausemann, A, Gemmecker, S, Koschmieder, J, Beyer, P, Einsle, O. | Deposit date: | 2016-12-14 | Release date: | 2017-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure of Phytoene Desaturase Provides Insights into Herbicide Binding and Reaction Mechanisms Involved in Carotene Desaturation. Structure, 25, 2017
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3B6J
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![BU of 3b6j by Molmil](/molmil-images/mine/3b6j) | WrbA from Escherichia coli, NADH complex | Descriptor: | ADENOSINE MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA, ... | Authors: | Andrade, S.L.A, Patridge, E.V, Ferry, J.G, Einsle, O. | Deposit date: | 2007-10-29 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the NADH:quinone oxidoreductase WrbA from Escherichia coli. J.Bacteriol., 189, 2007
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4RKN
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![BU of 4rkn by Molmil](/molmil-images/mine/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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3BNH
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![BU of 3bnh by Molmil](/molmil-images/mine/3bnh) | W. succinogenes NrfA Y218F Nitrite Complex | Descriptor: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | Authors: | Lukat, P, Einsle, O. | Deposit date: | 2007-12-14 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase Biochemistry, 47, 2008
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4TKU
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![BU of 4tku by Molmil](/molmil-images/mine/4tku) | Reactivated Nitrogenase MoFe-protein from A. vinelandii | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, FE (II) ION, ... | Authors: | Spatzal, T, Perez, K, Einsle, O, Howard, J.B, Rees, D.C. | Deposit date: | 2014-05-27 | Release date: | 2014-10-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Ligand binding to the FeMo-cofactor: structures of CO-bound and reactivated nitrogenase. Science, 345, 2014
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3BNJ
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![BU of 3bnj by Molmil](/molmil-images/mine/3bnj) | W. succinogenes NrfA Y218F Sulfite Complex | Descriptor: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | Authors: | Lukat, P, Einsle, O. | Deposit date: | 2007-12-14 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase Biochemistry, 47, 2008
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3BNG
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![BU of 3bng by Molmil](/molmil-images/mine/3bng) | W. succinogenes NrfA Y218F | Descriptor: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | Authors: | Lukat, P, Einsle, O. | Deposit date: | 2007-12-14 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase Biochemistry, 47, 2008
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1M1Y
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![BU of 1m1y by Molmil](/molmil-images/mine/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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5LC9
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![BU of 5lc9 by Molmil](/molmil-images/mine/5lc9) | |
5LDB
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![BU of 5ldb by Molmil](/molmil-images/mine/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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5MAQ
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![BU of 5maq by Molmil](/molmil-images/mine/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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