2Y69
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![BU of 2y69 by Molmil](/molmil-images/mine/2y69) | Bovine heart cytochrome c oxidase re-refined with molecular oxygen | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, CHOLIC ACID, ... | 著者 | Kaila, V.R.I, Oksanen, E, Goldman, A, Verkhovsky, M.I, Sundholm, D, Wikstrom, M. | 登録日 | 2011-01-20 | 公開日 | 2011-02-23 | 最終更新日 | 2019-11-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Combined Quantum Chemical and Crystallographic Study on the Oxidized Binuclear Center of Cytochrome C Oxidase. Biochim.Biophys.Acta, 1807, 2011
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6EOZ
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![BU of 6eoz by Molmil](/molmil-images/mine/6eoz) | 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
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6HXA
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![BU of 6hxa by Molmil](/molmil-images/mine/6hxa) | AntI from P. luminescens catalyses terminal polyketide shortening in the biosynthesis of anthraquinones | 分子名称: | AntI, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | 著者 | Zhou, Q, Braeuer, A, Grammbitter, G, Schmalhofer, M, Saura, P, Adihou, H, Kaila, V.R.I, Groll, M, Bode, H. | 登録日 | 2018-10-16 | 公開日 | 2019-08-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Molecular mechanism of polyketide shortening in anthraquinone biosynthesis ofPhotorhabdus luminescens. Chem Sci, 10, 2019
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7Q4W
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![BU of 7q4w by Molmil](/molmil-images/mine/7q4w) | CryoEM structure of electron bifurcating Fe-Fe hydrogenase HydABC complex A. woodii in the oxidised state | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | 著者 | Kumar, A, Saura, P, Poeverlein, M.C, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | 登録日 | 2021-11-02 | 公開日 | 2023-02-15 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.78 Å) | 主引用文献 | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J.Am.Chem.Soc., 145, 2023
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7Q4V
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![BU of 7q4v by Molmil](/molmil-images/mine/7q4v) | Electron bifurcating hydrogenase - HydABC from A. woodii | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | 著者 | Katsyv, A, Kumar, A, Saura, P, Poeverlein, M.C, Freibert, S.A, Stripp, S, Jain, S, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | 登録日 | 2021-11-02 | 公開日 | 2023-02-22 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | 主引用文献 | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J.Am.Chem.Soc., 145, 2023
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6Z0C
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![BU of 6z0c by Molmil](/molmil-images/mine/6z0c) | 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
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6Z35
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![BU of 6z35 by Molmil](/molmil-images/mine/6z35) | 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
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4B9O
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![BU of 4b9o by Molmil](/molmil-images/mine/4b9o) | The PR0 Photocycle Intermediate of Photoactive Yellow Protein | 分子名称: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | 著者 | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | 登録日 | 2012-09-06 | 公開日 | 2012-11-14 | 最終更新日 | 2019-02-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography Proc.Natl.Acad.Sci.USA, 109, 2012
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4BBV
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![BU of 4bbv by Molmil](/molmil-images/mine/4bbv) | The PB0 Photocycle Intermediate of Photoactive Yellow Protein | 分子名称: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | 著者 | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | 登録日 | 2012-09-28 | 公開日 | 2012-11-14 | 最終更新日 | 2019-01-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography. Proc.Natl.Acad.Sci.USA, 109, 2012
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4BBT
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![BU of 4bbt by Molmil](/molmil-images/mine/4bbt) | The PR1 Photocycle Intermediate of Photoactive Yellow Protein | 分子名称: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | 著者 | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | 登録日 | 2012-09-27 | 公開日 | 2012-11-14 | 最終更新日 | 2019-01-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography. Proc.Natl.Acad.Sci.USA, 109, 2012
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8A6T
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![BU of 8a6t by Molmil](/molmil-images/mine/8a6t) | Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Thermoanaerobacter kivui in the reduced state | 分子名称: | 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER, Electron bifurcating hydrogenase subunit HydA1, Electron bifurcating hydrogenase subunit HydB, ... | 著者 | Kumar, A, Saura, P, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | 登録日 | 2022-06-19 | 公開日 | 2023-02-15 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J.Am.Chem.Soc., 145, 2023
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8A5E
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![BU of 8a5e by Molmil](/molmil-images/mine/8a5e) | Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Acetobacterium woodii in the reduced state | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Kumar, A, Saura, P, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | 登録日 | 2022-06-14 | 公開日 | 2023-02-22 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J.Am.Chem.Soc., 145, 2023
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4BBU
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![BU of 4bbu by Molmil](/molmil-images/mine/4bbu) | The PR2 Photocycle Intermediate of Photoactive Yellow Protein | 分子名称: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | 著者 | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | 登録日 | 2012-09-27 | 公開日 | 2012-11-14 | 最終更新日 | 2019-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography. Proc.Natl.Acad.Sci.USA, 109, 2012
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5OA4
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![BU of 5oa4 by Molmil](/molmil-images/mine/5oa4) | 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
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5OED
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![BU of 5oed by Molmil](/molmil-images/mine/5oed) | 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
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5OA7
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![BU of 5oa7 by Molmil](/molmil-images/mine/5oa7) | 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
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5OA8
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![BU of 5oa8 by Molmil](/molmil-images/mine/5oa8) | 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
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5OEC
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![BU of 5oec by Molmil](/molmil-images/mine/5oec) | 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
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6SM4
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![BU of 6sm4 by Molmil](/molmil-images/mine/6sm4) | AntF (apo): type II PKS acyl-carrier protein | 分子名称: | Acyl carrier protein | 著者 | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | 登録日 | 2019-08-21 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SM6
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![BU of 6sm6 by Molmil](/molmil-images/mine/6sm6) | AntF (holo): type II PKS acyl-carrier protein | 分子名称: | Acyl carrier protein | 著者 | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | 登録日 | 2019-08-21 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SMO
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![BU of 6smo by Molmil](/molmil-images/mine/6smo) | AntDE:AntF (apo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide | 分子名称: | 3,5,7,9,11-pentakis(oxidanylidene)dodecanal, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ... | 著者 | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | 登録日 | 2019-08-22 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6TJV
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![BU of 6tjv by Molmil](/molmil-images/mine/6tjv) | Structure of the NDH-1MS complex from Thermosynechococcus elongatus | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, BETA-CAROTENE, ... | 著者 | Schuller, J.M, Saura, P, Thiemann, J, Schuller, S.K, Gamiz-Hernandez, A.P, Kurisu, G, Nowaczyk, M.M, Kaila, V.R.I. | 登録日 | 2019-11-27 | 公開日 | 2020-02-19 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Redox-coupled proton pumping drives carbon concentration in the photosynthetic complex I. Nat Commun, 11, 2020
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6SMP
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![BU of 6smp by Molmil](/molmil-images/mine/6smp) | AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide | 分子名称: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ... | 著者 | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | 登録日 | 2019-08-22 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SMD
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![BU of 6smd by Molmil](/molmil-images/mine/6smd) | PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase | 分子名称: | Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase | 著者 | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | 登録日 | 2019-08-21 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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7OLR
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![BU of 7olr by Molmil](/molmil-images/mine/7olr) | 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
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