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4XEH
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BU of 4xeh by Molmil
Apo structure of KARI from Ignisphaera aggregans
分子名称: Ketol-acid reductoisomerase
著者Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
登録日2014-12-23
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
7BET
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BU of 7bet by Molmil
Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane
分子名称: FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta
著者Aurelius, O, John, J, Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Hogbom, M, Wang, M, Pedrini, B.
登録日2020-12-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
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
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
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
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
5LPJ
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BU of 5lpj by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
分子名称: CREB-binding protein, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
著者Huegle, M, Wohlwend, D.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LPK
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BU of 5lpk by Molmil
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
分子名称: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
著者Huegle, M, Wohlwend, D.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LPL
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BU of 5lpl by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c
分子名称: CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
著者Wohlwend, D, Huegle, M.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
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
5LPM
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BU of 5lpm by Molmil
Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d
分子名称: ACETATE ION, Histone acetyltransferase p300, ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide
著者Huegle, M, Wohlwend, D, Gerhardt, S.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
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
6G9P
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BU of 6g9p by Molmil
Structural basis for the inhibition of E. coli PBP2
分子名称: Peptidoglycan D,D-transpeptidase MrdA
著者Ruff, M, Levy, N.
登録日2018-04-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
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
6R7P
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BU of 6r7p by Molmil
Crystal structure of oxidized Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M
分子名称: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gnandt, E, Friedrich, T.
登録日2019-03-29
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.22 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
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

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