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6Z0C
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BU of 6z0c by Molmil
Structure of in silico modelled artificial Maquette-3 protein
分子名称: Maquette-3, POTASSIUM ION
著者Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I.
登録日2020-05-08
公開日2021-03-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of buried charged networks in artificial proteins
Nat Commun, 12, 2021
7OLK
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BU of 7olk by Molmil
Dioxygenase AsqJ in complex with 2b and Tris
分子名称: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLP
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BU of 7olp by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2 and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, 4-Methoxydehydrocyclopeptin, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLT
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BU of 7olt by Molmil
Dioxygenase AsqJ in complex with 2 and Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLQ
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BU of 7olq by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2 and Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLR
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BU of 7olr by Molmil
Dioxygenase AsqJ in complex with 2 and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, 4-Methoxydehydrocyclopeptin, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLM
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BU of 7olm by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2b-O-O and Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one, BROMIDE ION, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLO
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BU of 7olo by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2b and glycerol
分子名称: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, BROMIDE ION, CHLORIDE ION, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLL
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BU of 7oll by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2b and Tris
分子名称: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
5OED
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BU of 5oed by Molmil
Human Rab32:GDP in complex with Salmonella GtgE C45A mutant
分子名称: GUANOSINE-5'-DIPHOSPHATE, GtgE, MAGNESIUM ION, ...
著者Wachtel, R, Braeuning, B, Mader, S.L, Ecker, F, Kaila, V.R.I, Groll, M, Itzen, A.
登録日2017-07-07
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The protease GtgE from Salmonella exclusively targets inactive Rab GTPases.
Nat Commun, 9, 2018
5OEC
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BU of 5oec by Molmil
Human Rab32 (18-201):GDP in complex with Salmonella GtgE (21-214) C45A mutant
分子名称: GUANOSINE-5'-DIPHOSPHATE, GtgE, MAGNESIUM ION, ...
著者Wachtel, R, Braeuning, B, Mader, S.L, Ecker, F, Kaila, V.R.I, Groll, M, Itzen, A.
登録日2017-07-07
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The protease GtgE from Salmonella exclusively targets inactive Rab GTPases.
Nat Commun, 9, 2018
6EOZ
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BU of 6eoz by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72K mutant in complex with cyclopeptin (1b)
分子名称: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
著者Groll, M, Braeuer, A, Kaila, V.R.I.
登録日2017-10-10
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
5OA4
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BU of 5oa4 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with 4-methoxycyclopeptin (1)
分子名称: (3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Groll, M, Braeuer, A, Kaila, V.R.I.
登録日2017-06-20
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
5OA7
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BU of 5oa7 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with cyclopeptin (1b)
分子名称: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
著者Groll, M, Braeuer, A, Kaila, V.R.I.
登録日2017-06-21
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
5OA8
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BU of 5oa8 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d)
分子名称: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
著者Groll, M, Braeuer, A, Kaila, V.R.I.
登録日2017-06-21
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
6Z35
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BU of 6z35 by Molmil
De-novo Maquette 2 protein with buried ion-pair
分子名称: Maquette 2-1ip
著者Baumgart, M, Roepke, M, Muehlbauer, M, Asami, S, Mader, S, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I.
登録日2020-05-19
公開日2021-04-07
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Design of buried charged networks in artificial proteins.
Nat Commun, 12, 2021
8A8C
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BU of 8a8c by Molmil
T5 phage receptor-binding protein pb5 bound to ferrichrome transporter FhuA
分子名称: Ferrichrome outer membrane transporter/phage receptor, Receptor-binding protein pb5, [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate
著者Silale, A, van den Berg, B.
登録日2022-06-22
公開日2022-10-05
最終更新日2022-11-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for host recognition and superinfection exclusion by bacteriophage T5.
Proc.Natl.Acad.Sci.USA, 119, 2022
8A60
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BU of 8a60 by Molmil
Crystal structure of FhuA in complex with the superinfection exclusion lipoprotein Llp
分子名称: Ferrichrome outer membrane transporter/phage receptor, Lytic conversion lipoprotein
著者van den Berg, B.
登録日2022-06-16
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Structural basis for host recognition and superinfection exclusion by bacteriophage T5.
Proc.Natl.Acad.Sci.USA, 119, 2022
8OVD
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BU of 8ovd by Molmil
Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M.
登録日2023-04-25
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex.
Nat Commun, 15, 2024
8OVC
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BU of 8ovc by Molmil
Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M.
登録日2023-04-25
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex.
Nat Commun, 15, 2024

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