7AWT
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![BU of 7awt by Molmil](/molmil-images/mine/7awt) | E. coli NADH quinone oxidoreductase hydrophilic arm | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Schimpf, J, Grishkovskaya, I, Haselbach, D, Friedrich, T. | Deposit date: | 2020-11-09 | Release date: | 2021-09-15 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Structure of the peripheral arm of a minimalistic respiratory complex I. Structure, 30, 2022
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6SAQ
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![BU of 6saq by Molmil](/molmil-images/mine/6saq) | wild-type NuoEF from Aquifex aeolicus bound to NADH-OH | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Gerhardt, S. | Deposit date: | 2019-07-17 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural Basis for Inhibition of ROS-Producing Respiratory Complex I by NADH-OH. Angew.Chem.Int.Ed.Engl., 2021
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4IA5
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![BU of 4ia5 by Molmil](/molmil-images/mine/4ia5) | Hydratase from Lactobacillus acidophilus - SeMet derivative (apo LAH) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Khoshnevis, S, Neumann, P, Ficner, R. | Deposit date: | 2012-12-06 | Release date: | 2013-03-27 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus Acta Crystallogr.,Sect.D, 69, 2013
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6HL4
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![BU of 6hl4 by Molmil](/molmil-images/mine/6hl4) | wild-type NuoEF from Aquifex aeolicus - reduced form | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.06 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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6HLI
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![BU of 6hli by Molmil](/molmil-images/mine/6hli) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NAD+ | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | 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 (2.38 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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6HL3
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![BU of 6hl3 by Molmil](/molmil-images/mine/6hl3) | wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 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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6HLM
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![BU of 6hlm by Molmil](/molmil-images/mine/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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6HL2
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![BU of 6hl2 by Molmil](/molmil-images/mine/6hl2) | wild-type NuoEF from Aquifex aeolicus - oxidized form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 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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6HLJ
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![BU of 6hlj by Molmil](/molmil-images/mine/6hlj) | Variant G129S of NuoEF from Aquifex aeolicus - oxidized from | 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 (2.1 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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6HLA
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![BU of 6hla by Molmil](/molmil-images/mine/6hla) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH | 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 (1.9 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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4IA6
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![BU of 4ia6 by Molmil](/molmil-images/mine/4ia6) | Hydratase from lactobacillus acidophilus in a ligand bound form (LA LAH) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Khoshnevis, S, Neumann, P, Ficner, R. | Deposit date: | 2012-12-06 | Release date: | 2013-03-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus Acta Crystallogr.,Sect.D, 69, 2013
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5LL0
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![BU of 5ll0 by Molmil](/molmil-images/mine/5ll0) | |
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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6SA3
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![BU of 6sa3 by Molmil](/molmil-images/mine/6sa3) | Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13) | Descriptor: | Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SB8
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![BU of 6sb8 by Molmil](/molmil-images/mine/6sb8) | Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-19 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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5O6K
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![BU of 5o6k by Molmil](/molmil-images/mine/5o6k) | |
5O6M
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![BU of 5o6m by Molmil](/molmil-images/mine/5o6m) | |
6SAJ
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![BU of 6saj by Molmil](/molmil-images/mine/6saj) | Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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5LLF
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![BU of 5llf by Molmil](/molmil-images/mine/5llf) | |
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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5LC9
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![BU of 5lc9 by Molmil](/molmil-images/mine/5lc9) | |
5LCD
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![BU of 5lcd by Molmil](/molmil-images/mine/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
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![BU of 5ld1 by Molmil](/molmil-images/mine/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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5LLB
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![BU of 5llb by Molmil](/molmil-images/mine/5llb) | |
6RWJ
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![BU of 6rwj by Molmil](/molmil-images/mine/6rwj) | Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6) | Descriptor: | Bromodomain-containing protein 4, ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-06-05 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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