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6YK9
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BU of 6yk9 by Molmil
[Fe]-hydrogenase from Methanolacinia paynteri with bound guanylylpyridinol at 1.7-A resolution
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, ...
Authors:Wagner, T, Huang, G, Arriaza-Gallardo, F.J, Shima, S.
Deposit date:2020-04-06
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
J.Mol.Biol., 432, 2020
6FAH
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BU of 6fah by Molmil
Molecular basis of the flavin-based electron-bifurcating caffeyl-CoA reductase reaction
Descriptor: Caffeyl-CoA reductase-Etf complex subunit CarC, Caffeyl-CoA reductase-Etf complex subunit CarD, Caffeyl-CoA reductase-Etf complex subunit CarE, ...
Authors:Demmer, J.K, Bertsch, J, Oeppinger, C, Wohlers, H, Kayastha, K, Demmer, U, Ermler, U, Mueller, V.
Deposit date:2017-12-15
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.133 Å)
Cite:Molecular basis of the flavin-based electron-bifurcating caffeyl-CoA reductase reaction.
FEBS Lett., 592, 2018
3ZYY
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BU of 3zyy by Molmil
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
5MJI
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BU of 5mji by Molmil
Crystal Structure of RosB with bound intermediate OHC-RP (8-demethyl-8-formylriboflavin-5'-phosphate)
Descriptor: BRAMP domain protein, [(2~{S},3~{R},4~{R})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Authors:Konjik, V, Bruenle, S, Demmer, U, Vanselow, A, Sandhoff, R, Mack, M, Ermler, U.
Deposit date:2016-12-01
Release date:2016-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of RosB: Insights into the Reaction Mechanism of the First Member of a Family of Flavodoxin-like Enzymes.
Angew. Chem. Int. Ed. Engl., 56, 2017
8VSU
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BU of 8vsu by Molmil
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
2JGD
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BU of 2jgd by Molmil
E. COLI 2-oxoglutarate dehydrogenase (E1o)
Descriptor: 2-OXOGLUTARATE DEHYDROGENASE E1 COMPONENT, ADENOSINE MONOPHOSPHATE
Authors:Frank, R.A.W, Price, A.J, Northrop, F.D, Perham, R.N, Luisi, B.F.
Deposit date:2007-02-12
Release date:2007-02-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the E1 Component of the Escherichia Coli 2-Oxoglutarate Dehydrogenase Multienzyme Complex.
J.Mol.Biol., 368, 2007
6RQF
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BU of 6rqf by Molmil
3.6 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Spinacia oleracea with natively bound thylakoid lipids and plastoquinone molecules
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Malone, L.A, Qian, P, Mayneord, G.E, Hitchcock, A, Farmer, D, Thompson, R, Swainsbury, D.J.K, Ranson, N, Hunter, C.N, Johnson, M.P.
Deposit date:2019-05-15
Release date:2019-11-13
Last modified:2019-12-04
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structure of the spinach cytochrome b6f complex at 3.6 angstrom resolution.
Nature, 575, 2019
6I3C
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BU of 6i3c by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and S-adensoyl-L-methionine
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
2IEA
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BU of 2iea by Molmil
E. coli pyruvate dehydrogenase
Descriptor: MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE
Authors:Furey, W, Arjunan, P.
Deposit date:2006-09-18
Release date:2006-10-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the pyruvate dehydrogenase multienzyme complex E1 component from Escherichia coli at 1.85 A resolution.
Biochemistry, 41, 2002
7QRM
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BU of 7qrm by Molmil
Cryo-EM structure of catalytically active Spinacia oleracea cytochrome b6f in complex with endogenous plastoquinones at 2.7 A resolution
Descriptor: (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, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
Authors:Sarewicz, M, Szwalec, M, Indyka, P, Rawski, M, Pintscher, S, Pietras, R, Mielecki, B, Jaciuk, M, Glatt, S, Osyczka, A.
Deposit date:2022-01-11
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:High-resolution cryo-EM structures of plant cytochrome b 6 f at work.
Sci Adv, 9, 2023
2J9F
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BU of 2j9f by Molmil
Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase E1b
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ...
Authors:Jun, L, Machius, M, Chuang, J.L, Wynn, R.M, Chuang, D.T.
Deposit date:2006-11-07
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Two Active Sites in Human Branched-Chain Alpha- Keto Acid Dehydrogenase Operate Independently without an Obligatory Alternating-Site Mechanism.
J.Biol.Chem., 282, 2007
8E9I
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BU of 8e9i by Molmil
Mycobacterial respiratory complex I, semi-inserted quinone
Descriptor: (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Liang, Y, Rubinstein, J.L.
Deposit date:2022-08-26
Release date:2022-10-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
8E9H
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BU of 8e9h by Molmil
Mycobacterial respiratory complex I, fully-inserted quinone
Descriptor: (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Liang, Y, Rubinstein, J.L.
Deposit date:2022-08-26
Release date:2022-10-12
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
8E9G
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BU of 8e9g by Molmil
Mycobacterial respiratory complex I with both quinone positions modelled
Descriptor: (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Liang, Y, Rubinstein, J.L.
Deposit date:2022-08-26
Release date:2022-10-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
6I3D
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BU of 6i3d by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and Sinefungin
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
7RH7
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BU of 7rh7 by Molmil
Mycobacterial CIII2CIV2 supercomplex, Telacebec (Q203) bound
Descriptor: (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, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
Authors:Di Trani, J.M, Yanofsky, D.J, Rubinstein, J.L.
Deposit date:2021-07-16
Release date:2021-08-04
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of mycobacterial CIII 2 CIV 2 respiratory supercomplex bound to the tuberculosis drug candidate telacebec (Q203).
Elife, 10, 2021
7RH6
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BU of 7rh6 by Molmil
Mycobacterial CIII2CIV2 supercomplex, inhibitor free, -Lpqe cyt cc open
Descriptor: (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, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
Authors:Di Trani, J.M, Yanofsky, D.J, Rubinstein, J.L.
Deposit date:2021-07-16
Release date:2021-08-04
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of mycobacterial CIII 2 CIV 2 respiratory supercomplex bound to the tuberculosis drug candidate telacebec (Q203).
Elife, 10, 2021
7RH5
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BU of 7rh5 by Molmil
Mycobacterial CIII2CIV2 supercomplex, Inhibitor free
Descriptor: (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, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
Authors:Di Trani, J.M, Yanofsky, D.J, Rubinstein, J.L.
Deposit date:2021-07-16
Release date:2021-08-04
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of mycobacterial CIII 2 CIV 2 respiratory supercomplex bound to the tuberculosis drug candidate telacebec (Q203).
Elife, 10, 2021
6SGN
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BU of 6sgn by Molmil
Crystal structure of monooxygenase RutA complexed with 2,4-dimethoxypyrimidine.
Descriptor: 2,4-dimethoxypyrimidine, FLAVIN MONONUCLEOTIDE, Pyrimidine monooxygenase RutA
Authors:Saleem-Batcha, R, Matthews, A, Teufel, R.
Deposit date:2019-08-05
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
6SGG
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BU of 6sgg by Molmil
Crystal structure of monooxygenase RutA complexed with dioxygen under 1.5 MPa / 15 bars of oxygen pressure.
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, OXYGEN MOLECULE, ...
Authors:Saleem-Batcha, R, Matthews, A, Teufel, R.
Deposit date:2019-08-04
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
6SGL
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BU of 6sgl by Molmil
Crystal structure of monooxygenase RutA complexed with Uracil under atmospheric pressure.
Descriptor: FLAVIN MONONUCLEOTIDE, Pyrimidine monooxygenase RutA, SULFATE ION, ...
Authors:Saleem-Batcha, R, Matthews, A, Teufel, R.
Deposit date:2019-08-05
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
6SY1
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BU of 6sy1 by Molmil
Crystal structure of the human 2-oxoadipate dehydrogenase DHTKD1 (E1)
Descriptor: MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, ...
Authors:Bezerra, G.A, Foster, W, Shrestha, L, Pena, I.A, Coker, J, Kolker, S, Nicola, B.B, von Delft, F, Edwards, A, Arrowsmith, C, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC)
Deposit date:2019-09-26
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure and interaction studies of human DHTKD1 provide insight into a mitochondrial megacomplex in lysine catabolism.
Iucrj, 7, 2020
7R0W
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BU of 7r0w by Molmil
2.8 Angstrom cryo-EM structure of the dimeric cytochrome b6f-PetP complex from Synechocystis sp. PCC 6803 with natively bound lipids and plastoquinone molecules
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S,8E)-1-{[(2S)-1-hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, ...
Authors:Farmer, D.F, Proctor, M.S, Malone, L.A, Swainsbury, D.P.K, Hawkings, F.R, Hitchcock, A, Johnson, M.P.
Deposit date:2022-02-02
Release date:2022-07-06
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.8 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
6SGM
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BU of 6sgm by Molmil
Crystal structure of monooxygenase RutA complexed with 4-Thiouracil.
Descriptor: 4-Thiouracil, FLAVIN MONONUCLEOTIDE, Pyrimidine monooxygenase RutA
Authors:Saleem-Batcha, R, Matthews, A, Teufel, R.
Deposit date:2019-08-05
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
3TZ5
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BU of 3tz5 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex with ADP
Descriptor: 4-PHENYL-BUTANOIC 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:2011-09-27
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 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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