4Z3X
 
 | | Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1-Monoenoyl-CoA | | Descriptor: | 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ... | | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | | Deposit date: | 2015-04-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
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5L8X
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4BEX
 | | Structure of human Cofilin1 | | Descriptor: | COFILIN-1 | | Authors: | Klejnot, M, Gabrielsen, M, Cameron, J, Mleczak, A, Talapatra, S.K, Kozielski, F, Pannifer, A, Olson, M.F. | | Deposit date: | 2013-03-12 | | Release date: | 2013-08-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Analysis of the Human Cofilin1 Structure Reveals Conformational Changes Required for Actin-Binding
Acta Crystallogr.,Sect.D, 69, 2013
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5A8W
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4BIH
 | | Crystal structure of the conserved staphylococcal antigen 1A, Csa1A | | Descriptor: | CALCIUM ION, UNCHARACTERIZED LIPOPROTEIN SAOUHSC_00053 | | Authors: | Malito, E, Bottomley, M.J, Spraggon, G, Schluepen, C, Liberatori, S. | | Deposit date: | 2013-04-10 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.459 Å) | | Cite: | Mining the Bacterial Unknown Proteome: Identification and Characterization of a Novel Family of Highly Conserved Protective Antigens in Staphylococcus Aureus
Biochem.J., 455, 2013
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5A8K
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4D2T
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4D2P
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-12 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4A24
 | | Structural and functional analysis of the DEAF-1 and BS69 MYND domains | | Descriptor: | DEFORMED EPIDERMAL AUTOREGULATORY FACTOR 1 HOMOLOG, ZINC ION | | Authors: | Kateb, F, Perrin, H, Tripsianes, K, Zou, P, Spadaccini, R, Bottomley, M, Bepperling, A, Ansieau, S, Sattler, M. | | Deposit date: | 2011-09-22 | | Release date: | 2012-11-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Analysis of the Deaf-1 and Bs69 Mynd Domains.
Plos One, 8, 2013
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4DMW
 | | Crystal structure of the GT domain of Clostridium difficile toxin A (TcdA) in complex with UDP and Manganese | | Descriptor: | MANGANESE (II) ION, Toxin A, URIDINE-5'-DIPHOSPHATE | | Authors: | Malito, E, D'Urzo, N, Bottomley, M.J, Biancucci, M, Scarselli, M, Maione, D, Martinelli, M. | | Deposit date: | 2012-02-08 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release.
Febs J., 279, 2012
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4DMV
 | | Crystal structure of the GT domain of Clostridium difficile Toxin A | | Descriptor: | Toxin A | | Authors: | Malito, E, D'Urzo, N, Bottomley, M.J, Biancucci, M, Maione, D, Scarselli, M, Martinelli, M. | | Deposit date: | 2012-02-08 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release.
Febs J., 279, 2012
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4CJD
 | | Crystal structure of Neisseria meningitidis trimeric autotransporter and vaccine antigen NadA | | Descriptor: | IODIDE ION, NADA | | Authors: | Malito, E, Biancucci, M, Spraggon, G, Bottomley, M.J. | | Deposit date: | 2013-12-19 | | Release date: | 2014-11-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.056 Å) | | Cite: | Structure of the Meningococcal Vaccine Antigen Nada and Epitope Mapping of a Bactericidal Antibody.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4DPM
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with CoA | | Descriptor: | COENZYME A, MAGNESIUM ION, Malonyl-CoA/succinyl-CoA reductase | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
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4DPK
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota | | Descriptor: | Malonyl-CoA/succinyl-CoA reductase, PHOSPHATE ION | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
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5N1Q
 | | METHYL-COENZYME M REDUCTASE III FROM METHANOTHERMOCOCCUS THERMOLITHOTROPHICUS AT 1.9 A RESOLUTION | | Descriptor: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | | Deposit date: | 2017-02-06 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
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5N2A
 | | METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS TRIGONAL FORM | | Descriptor: | 1-THIOETHANESULFONIC ACID, BROMIDE ION, Coenzyme B, ... | | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | | Deposit date: | 2017-02-07 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
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4S23
 | | Structure of the GcpE-HMBPP complex from Thermus thermophilius | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Rekittke, I, Warkentin, E, Jomaa, H, Ermler, E. | | Deposit date: | 2015-01-19 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of the GcpE-HMBPP complex from Thermus thermophilius.
Biochem.Biophys.Res.Commun., 458, 2015
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5O4M
 | | Fresh crystals of HcgC from Methanococcus maripaludis cocrystallized with SAH and pyridinol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-carboxy methyl-4-hydroxy-2-pyridinol, DIMETHYL SULFOXIDE, ... | | Authors: | Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S. | | Deposit date: | 2017-05-29 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MJI
 | | 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
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5O4N
 | | Apo HcgC from Methanococcus maripaludis soaked with SAH and pyridinol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-carboxy methyl-4-hydroxy-2-pyridinol, DIMETHYL SULFOXIDE, ... | | Authors: | Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S. | | Deposit date: | 2017-05-29 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MLD
 | | Crystal Structure of RosB with bound intermediate AFP (8-demethyl-8-aminoriboflavin-5'-phosphate) | | Descriptor: | 8-demethyl-8-aminoriboflavin-5'-phosphate, BRAMP domain protein | | Authors: | Konjik, V, Bruenle, S, Demmer, U, Vanselow, A, Sandhoff, R, Mack, M, Ermler, U. | | Deposit date: | 2016-12-06 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of RosB gives insights into the reaction mechanism of this first known member of a new family of flavodoxin-like enzymes
To be published
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5O4J
 | | HcgC from Methanococcus maripaludis cocrystallized with SAH and pyridinol | | Descriptor: | (3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 6-carboxy methyl-4-hydroxy-2-pyridinol, ... | | Authors: | Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S. | | Deposit date: | 2017-05-29 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5N28
 | | METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS MONOCLINIC FORM | | Descriptor: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | | Deposit date: | 2017-02-07 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
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5O5W
 | | Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography | | Descriptor: | (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Steffen, B, Weinert, T, Ermler, U, Standfuss, J. | | Deposit date: | 2017-06-02 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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5ODQ
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with bromoethanesulfonate. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-bromanylethanesulfonic acid, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-06 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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