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7AWT
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BU of 7awt by Molmil
E. coli NADH quinone oxidoreductase hydrophilic arm
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Schimpf, J, Grishkovskaya, I, Haselbach, D, Friedrich, T.
登録日2020-11-09
公開日2021-09-15
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structure of the peripheral arm of a minimalistic respiratory complex I.
Structure, 30, 2022
6SAQ
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BU of 6saq by Molmil
wild-type NuoEF from Aquifex aeolicus bound to NADH-OH
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Gerhardt, S.
登録日2019-07-17
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Basis for Inhibition of ROS-Producing Respiratory Complex I by NADH-OH.
Angew.Chem.Int.Ed.Engl., 2021
4IA5
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BU of 4ia5 by Molmil
Hydratase from Lactobacillus acidophilus - SeMet derivative (apo LAH)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
著者Khoshnevis, S, Neumann, P, Ficner, R.
登録日2012-12-06
公開日2013-03-27
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus
Acta Crystallogr.,Sect.D, 69, 2013
4IA6
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BU of 4ia6 by Molmil
Hydratase from lactobacillus acidophilus in a ligand bound form (LA LAH)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Khoshnevis, S, Neumann, P, Ficner, R.
登録日2012-12-06
公開日2013-03-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus
Acta Crystallogr.,Sect.D, 69, 2013
6HLA
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BU of 6hla by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH
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 (1.9 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
6HL4
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BU of 6hl4 by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form
分子名称: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.06 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
6HLI
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BU of 6hli by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form bound to NAD+
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
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 (2.38 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
6HL3
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BU of 6hl3 by Molmil
wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 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
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
6HL2
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BU of 6hl2 by Molmil
wild-type NuoEF from Aquifex aeolicus - oxidized form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 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
6HLJ
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BU of 6hlj by Molmil
Variant G129S of NuoEF from Aquifex aeolicus - oxidized from
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 (2.1 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
5O6M
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BU of 5o6m by Molmil
Structure of Polyphosphate Kinase from Meiothermus ruber N121D bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Polyphosphate:AMP phosphotransferase
著者Kemper, F, Gerhardt, S, Einsle, O.
登録日2017-06-06
公開日2018-03-21
最終更新日2024-01-17
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
5O6K
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BU of 5o6k by Molmil
Structure of Polyphosphate Kinase from Meiothermus ruber N121D
分子名称: DIPHOSPHATE, PHOSPHATE ION, Polyphosphate:AMP phosphotransferase
著者Kemper, F, Gerhardt, S, Einsle, O.
登録日2017-06-06
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.903 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
6SA3
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BU of 6sa3 by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13)
分子名称: 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
著者Huegle, M.
登録日2019-07-16
公開日2020-12-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
6SB8
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BU of 6sb8 by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7)
分子名称: (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
著者Huegle, M.
登録日2019-07-19
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
6SAJ
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BU of 6saj by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12)
分子名称: (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
著者Huegle, M.
登録日2019-07-16
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
5LC9
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BU of 5lc9 by Molmil
Structure of Polyphosphate Kinase from Meiothermus ruber Apo-form
分子名称: PHOSPHATE ION, Polyphosphate:AMP phosphotransferase, SULFATE ION
著者Kemper, F, Einsle, O, Gerhardt, S.
登録日2016-06-20
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.903 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
5LLF
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BU of 5llf by Molmil
Structure of Polyphosphate Kinase 2 mutant D117N from Francisella tularensis with polyphosphate
分子名称: CHLORIDE ION, PHOSPHATE ION, Polyphosphate kinase 2, ...
著者Roach, P.L, Parnell, A.E.
登録日2016-07-27
公開日2017-10-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.31 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
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
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
5LLB
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BU of 5llb by Molmil
Structure of Polyphosphate Kinase 2 from Francisella tularensis with AMPPCH2PPP and polyphosphate
分子名称: CHLORIDE ION, MAGNESIUM ION, Polyphosphate kinase 2, ...
著者Roach, P.L, Parnell, A.E.
登録日2016-07-27
公開日2017-10-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 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
5LL0
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BU of 5ll0 by Molmil
Structure of Polyphosphate Kinase 2 from Francisella tularensis SCHU S4 with polyphosphate
分子名称: Polyphosphate kinase 2, bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
著者Roach, P.L, Parnell, A.E.
登録日2016-07-25
公開日2017-10-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.96 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
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
6RWJ
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BU of 6rwj by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6)
分子名称: Bromodomain-containing protein 4, ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-06-05
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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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