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4WN9
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BU of 4wn9 by Molmil
Structure of the Nitrogenase MoFe Protein from Clostridium pasteurianum Pressurized with Xenon
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
著者Morrison, C.N, Hoy, J.A, Rees, D.C.
登録日2014-10-11
公開日2015-03-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate Pathways in the Nitrogenase MoFe Protein by Experimental Identification of Small Molecule Binding Sites.
Biochemistry, 54, 2015
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
6Q9C
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BU of 6q9c by Molmil
Crystal structure of Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF bound to NADH under anaerobic conditions
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-17
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.78 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
6Q9G
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BU of 6q9g by Molmil
Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-18
公開日2019-06-26
最終更新日2024-05-15
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
6Q9J
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BU of 6q9j by Molmil
Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129S and NuoF bound to NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-18
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.83 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
6Q9K
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BU of 6q9k by Molmil
Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-18
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.99 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
7AT6
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BU of 7at6 by Molmil
Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane
分子名称: L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ...
著者Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B.
登録日2020-10-29
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
4LYI
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BU of 4lyi by Molmil
Crystal Structure of apo-BRD4(1)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ...
著者Wohlwend, D.
登録日2013-07-31
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4AAN
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BU of 4aan by Molmil
MacA wild-type fully reduced
分子名称: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYTOCHROME C551 PEROXIDASE, ...
著者Seidel, J.
登録日2011-12-05
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens.
Biochemistry, 51, 2012
4AAL
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BU of 4aal by Molmil
MacA wild-type oxidized
分子名称: ACETATE ION, CALCIUM ION, CYTOCHROME C551 PEROXIDASE, ...
著者Seidel, J.
登録日2011-12-05
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens.
Biochemistry, 51, 2012
4AAO
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BU of 4aao by Molmil
MacA-H93G
分子名称: CALCIUM ION, CYTOCHROME C551 PEROXIDASE, HEME C, ...
著者Seidel, J.
登録日2011-12-05
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens.
Biochemistry, 51, 2012
4AAM
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BU of 4aam by Molmil
MacA wild-type mixed-valence
分子名称: CALCIUM ION, CYTOCHROME C551 PEROXIDASE, HEME C, ...
著者Seidel, J.
登録日2011-12-05
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens.
Biochemistry, 51, 2012
7R5B
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BU of 7r5b by Molmil
Crystal structure of BRD4(1) in complex with the inhibitor MPM2
分子名称: (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ...
著者Huegle, M.
登録日2022-02-10
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A novel pan-selective bromodomain inhibitor for epigenetic drug design
Eur.J.Med.Chem., 249, 2023
7QTG
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BU of 7qtg by Molmil
Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1
分子名称: FE (II) ION, PlaO1, SULFATE ION
著者Lukat, P, Daum, M, Bechthold, A, Einsle, O.
登録日2022-01-14
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
7QTD
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BU of 7qtd by Molmil
Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with iron and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, ACETATE ION, FE (II) ION, ...
著者Lukat, P, Daum, M, Bechthold, A, Einsle, O.
登録日2022-01-14
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
7QTF
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BU of 7qtf by Molmil
Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with sodium succinate
分子名称: ACETATE ION, MALONATE ION, PlaO1, ...
著者Lukat, P, Daum, M, Bechthold, A, Einsle, O.
登録日2022-01-14
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
7QTE
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BU of 7qte by Molmil
Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with cobalt and succinate
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, COBALT (II) ION, PlaO1, ...
著者Lukat, P, Daum, M, Bechthold, A, Einsle, O.
登録日2022-01-14
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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
6S4B
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BU of 6s4b by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX1 (8)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, CALCIUM ION, ...
著者Huegle, M.
登録日2019-06-27
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 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
6S6K
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BU of 6s6k by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX2 (9)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-03
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
6SA2
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BU of 6sa2 by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX3 (10)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-methoxy-5-morpholin-4-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2020-12-09
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
6SAH
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BU of 6sah by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX5 (11)
分子名称: Bromodomain-containing protein 4, ~{N}-(2-methoxy-5-piperidin-1-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2020-12-09
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
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

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