4E02
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![BU of 4e02 by Molmil](/molmil-images/mine/4e02) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP | Descriptor: | (S)-2-chloro-3-phenylpropanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2012-03-02 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1547 Å) | Cite: | Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
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1W85
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![BU of 1w85 by Molmil](/molmil-images/mine/1w85) | The crystal structure of pyruvate dehydrogenase E1 bound to the peripheral subunit binding domain of E2 | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE COMPONENT OF PYRUVATE, MAGNESIUM ION, ... | Authors: | Frank, R.A.W, Pratap, J.V, Pei, X.Y, Perham, R.N, Luisi, B.F. | Deposit date: | 2004-09-16 | Release date: | 2004-11-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A molecular switch and proton wire synchronize the active sites in thiamine enzymes. Science, 306, 2004
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1W88
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![BU of 1w88 by Molmil](/molmil-images/mine/1w88) | The crystal structure of pyruvate dehydrogenase E1(D180N,E183Q) bound to the peripheral subunit binding domain of E2 | Descriptor: | DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE COMPONENT OF PYRUVATE, MAGNESIUM ION, PYRUVATE DEHYDROGENASE E1 COMPONENT, ... | Authors: | Frank, R.A.W, Pratap, J.V, Pei, X.Y, Perham, R.N, Luisi, B.F. | Deposit date: | 2004-09-16 | Release date: | 2004-11-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Molecular Switch and Proton-Wire Synchronize the Active Sites in Thiamine-Dependent Enzymes Science, 306, 2004
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3CRK
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![BU of 3crk by Molmil](/molmil-images/mine/3crk) | Crystal structure of the PDHK2-L2 complex. | Descriptor: | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, POTASSIUM ION, ... | Authors: | Green, T.J, Popov, K.M, Luo, M, Grigorian, A, Klyuyeva, A, Tuganova, A. | Deposit date: | 2008-04-07 | Release date: | 2008-04-29 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional insights into the molecular mechanisms responsible for the regulation of pyruvate dehydrogenase kinase 2. J.Biol.Chem., 283, 2008
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7KOE
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![BU of 7koe by Molmil](/molmil-images/mine/7koe) | Electron bifurcating flavoprotein Fix/EtfABCX | Descriptor: | Electron transfer flavoprotein, alpha subunit, beta subunit, ... | Authors: | Feng, X, Li, H. | Deposit date: | 2020-11-08 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryoelectron microscopy structure and mechanism of the membrane-associated electron-bifurcating flavoprotein Fix/EtfABCX. Proc.Natl.Acad.Sci.USA, 118, 2021
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2GMH
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![BU of 2gmh by Molmil](/molmil-images/mine/2gmh) | Structure of Porcine Electron Transfer Flavoprotein-Ubiquinone Oxidoreductase in Complexed with Ubiquinone | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, Electron transfer flavoprotein-ubiquinone oxidoreductase, ... | Authors: | Zhang, J, Frerman, F.E, Kim, J.-J.P. | Deposit date: | 2006-04-06 | Release date: | 2006-10-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of electron transfer flavoprotein-ubiquinone oxidoreductase and electron transfer to the mitochondrial ubiquinone pool. Proc.Natl.Acad.Sci.Usa, 103, 2006
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7S5O
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4H7Q
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![BU of 4h7q by Molmil](/molmil-images/mine/4h7q) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase in complex with alpha-ketoisocaproic acid and ADP | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2012-09-20 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
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4H85
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![BU of 4h85 by Molmil](/molmil-images/mine/4h85) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-alpha-chloroisocaproate complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALPHA-CHLOROISOCAPROIC ACID, MAGNESIUM ION, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2012-09-21 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
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4H81
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![BU of 4h81 by Molmil](/molmil-images/mine/4h81) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-2-chloro-3-phenylpropanoic acid complex with ADP | Descriptor: | (2R)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2012-09-21 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
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4G2E
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8VSU
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![BU of 8vsu by Molmil](/molmil-images/mine/8vsu) | Cryo-EM structure of LKB1-STRADalpha-MO25alpha heterocomplex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Calcium-binding protein 39, Isoform 3 of STE20-related kinase adapter protein alpha, ... | Authors: | Chan, L.M, Courteau, B.J, Verba, K.A. | Deposit date: | 2024-01-24 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | High-resolution single-particle imaging at 100-200 keV with the Gatan Alpine direct electron detector. J.Struct.Biol., 216, 2024
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2G28
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![BU of 2g28 by Molmil](/molmil-images/mine/2g28) | E. Coli Pyruvate Dehydrogenase H407A variant Phosphonolactylthiamin Diphosphate Complex | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, Pyruvate dehydrogenase E1 component | Authors: | Furey, W, Arjunan, P, Chandrasekhar, K. | Deposit date: | 2006-02-15 | Release date: | 2006-04-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Thiamin-bound, Pre-decarboxylation Reaction Intermediate Analogue in the Pyruvate Dehydrogenase E1 Subunit Induces Large Scale Disorder-to-Order Transformations in the Enzyme and Reveals Novel Structural Features in the Covalently Bound Adduct. J.Biol.Chem., 281, 2006
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7Z07
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![BU of 7z07 by Molmil](/molmil-images/mine/7z07) | |
7Z08
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7Z0B
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7YTL
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![BU of 7ytl by Molmil](/molmil-images/mine/7ytl) | Structure of a oxidoreductase in complex with quinone | Descriptor: | Apoptosis inducing factor mitochondria associated 2, FLAVIN-ADENINE DINUCLEOTIDE, UBIQUINONE-1 | Authors: | Lv, Y, Sun, Q, Wang, Q, Zhu, D. | Deposit date: | 2022-08-15 | Release date: | 2023-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural insights into FSP1 catalysis and ferroptosis inhibition. Nat Commun, 14, 2023
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4PV1
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![BU of 4pv1 by Molmil](/molmil-images/mine/4pv1) | Cytochrome B6F structure from M. laminosus with the quinone analog inhibitor stigmatellin | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Hasan, S.S, Yamashita, E, Cramer, W.A. | Deposit date: | 2014-03-14 | Release date: | 2014-08-20 | Last modified: | 2021-03-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Traffic within the cytochrome b6f lipoprotein complex: gating of the quinone portal. Biophys.J., 107, 2014
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7ZXY
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![BU of 7zxy by Molmil](/molmil-images/mine/7zxy) | 3.15 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Synechocystis sp. PCC 6803 with natively bound plastoquinone and lipid molecules. | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, CHLOROPHYLL A, Cytochrome B6, ... | Authors: | Malone, L.A, Procter, M.S, Farmer, D.F, Swainsbury, D.J.K, Hawkings, F.R, Pastorelli, F, Emrich-Mills, T.Z, Siebert, A, Hunter, C.N, Hitchcock, A, Johnson, M.P. | Deposit date: | 2022-05-23 | Release date: | 2022-07-06 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Cryo-EM structures of the Synechocystis sp. PCC 6803 cytochrome b6f complex with and without the regulatory PetP subunit. Biochem.J., 479, 2022
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8QPM
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![BU of 8qpm by Molmil](/molmil-images/mine/8qpm) | Structure of methylene-tetrahydromethanopterin reductase from Methanocaldococcus jannaschii | Descriptor: | 5,10-methylenetetrahydromethanopterin reductase | Authors: | Gehl, M, Demmer, U, Ermler, U, Shima, S. | Deposit date: | 2023-10-02 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutational and structural studies of ( beta alpha ) 8 -barrel fold methylene-tetrahydropterin reductases utilizing a common catalytic mechanism. Protein Sci., 33, 2024
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8QPJ
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8QPL
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![BU of 8qpl by Molmil](/molmil-images/mine/8qpl) | F420-Dependent Methylene-Tetrahydromethanopterin Reductase with F420 from Methanocaldococcus jannaschii | Descriptor: | 5,10-methylenetetrahydromethanopterin reductase, COENZYME F420 | Authors: | Gehl, M, Demmer, U, Ermler, U, Shima, S. | Deposit date: | 2023-10-02 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mutational and structural studies of ( beta alpha ) 8 -barrel fold methylene-tetrahydropterin reductases utilizing a common catalytic mechanism. Protein Sci., 33, 2024
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8QQ8
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![BU of 8qq8 by Molmil](/molmil-images/mine/8qq8) | Crystal Structure of F420-dependent Methylene-Tetrahydromethanopterin Reductase Mutant E6Q from Methanocaldococcus Jannaschii | Descriptor: | 5,10-methylenetetrahydromethanopterin reductase | Authors: | Gehl, M, Demmer, U, Ermler, U, Shima, S. | Deposit date: | 2023-10-04 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutational and structural studies of ( beta alpha ) 8 -barrel fold methylene-tetrahydropterin reductases utilizing a common catalytic mechanism. Protein Sci., 33, 2024
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8U0Q
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![BU of 8u0q by Molmil](/molmil-images/mine/8u0q) | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A. | Deposit date: | 2023-08-29 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors. Acs Bio Med Chem Au, 3, 2023
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3ZYY
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![BU of 3zyy by Molmil](/molmil-images/mine/3zyy) | Reductive activator for corrinoid,iron-sulfur protein | Descriptor: | (R,R)-2,3-BUTANEDIOL, FE2/S2 (INORGANIC) CLUSTER, IRON-SULFUR CLUSTER BINDING PROTEIN, ... | Authors: | Hennig, S.E, Jeoung, J.-H, Goetzl, S, Dobbek, H. | Deposit date: | 2011-08-30 | Release date: | 2012-04-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Redox-Dependent Complex Formation by an ATP-Dependent Activator of the Corrinoid/Iron-Sulfur Protein. Proc.Natl.Acad.Sci.USA, 109, 2012
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