1F07
 
 | | STRUCTURE OF COENZYME F420 DEPENDENT TETRAHYDROMETHANOPTERIN REDUCTASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Shima, S, Warkentin, E, Grabarse, W, Thauer, R.K, Ermler, U. | | Deposit date: | 2000-05-15 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of coenzyme F(420) dependent methylenetetrahydromethanopterin reductase from two methanogenic archaea.
J.Mol.Biol., 300, 2000
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1EZW
 | | STRUCTURE OF COENZYME F420 DEPENDENT TETRAHYDROMETHANOPTERIN REDUCTASE FROM METHANOPYRUS KANDLERI | | Descriptor: | CHLORIDE ION, COENZYME F420-DEPENDENT N5,N10-METHYLENETETRAHYDROMETHANOPTERIN REDUCTASE, MAGNESIUM ION | | Authors: | Shima, S, Warkentin, E, Grabarse, W, Thauer, R.K, Ermler, U. | | Deposit date: | 2000-05-12 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of coenzyme F(420) dependent methylenetetrahydromethanopterin reductase from two methanogenic archaea.
J.Mol.Biol., 300, 2000
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3SQG
 | | Crystal structure of a methyl-coenzyme M reductase purified from Black Sea mats | | Descriptor: | (17[2]S)-17[2]-methylthio-coenzyme F43, 1-THIOETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Shima, S, Krueger, M, Weinert, T, Demmer, U, Thauer, R.K, Ermler, U. | | Deposit date: | 2011-07-05 | | Release date: | 2011-11-30 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of a methyl-coenzyme M reductase from Black Sea mats that oxidize methane anaerobically.
Nature, 481, 2011
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5IY5
 | | Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution | | Descriptor: | (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, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T. | | Deposit date: | 2016-03-24 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode
EMBO J., 36, 2017
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2AHJ
 | | NITRILE HYDRATASE COMPLEXED WITH NITRIC OXIDE | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, FE (III) ION, NITRIC OXIDE, ... | | Authors: | Nagashima, S, Nakasako, M, Dohmae, N, Tsujimura, M, Takio, K, Odaka, M, Yohda, M, Kamiya, N, Endo, I. | | Deposit date: | 1997-12-24 | | Release date: | 1999-01-27 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Novel non-heme iron center of nitrile hydratase with a claw setting of oxygen atoms.
Nat.Struct.Biol., 5, 1998
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8JT1
 | | COLLAGENASE FROM GRIMONTIA (VIBRIO) HOLLISAE 1706B COMPLEXED WITH GLY-PRO-HYP-GLY-PRO-HYP | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-mer peptide, ... | | Authors: | Ueshima, S, Yaskawa, K, Takita, T, Mikami, B. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into the catalytic mechanism of Grimontia hollisae collagenase through structural and mutational analyses.
Febs Lett., 597, 2023
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2KTD
 | | Solution structure of mouse lipocalin-type prostaglandin D synthase / substrate analog (U-46619) complex | | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Prostaglandin-H2 D-isomerase | | Authors: | Shimamoto, S, Maruo, H, Yoshida, T, Kato, N, Ohkubo, T. | | Deposit date: | 2010-01-27 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Lipocalin-type Prostaglandin D synthase / Substrate analog complex reveals Open-Closed Conformational Change required for Substrate Recognition
To be Published
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7CSS
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7D37
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2E4J
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3DAF
 | | The crystal structure of [Fe]-hydrogenase holoenzyme (HMD) from METHANOCALDOCOCCUS JANNASCHII cocrystallized with cyanide | | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | | Authors: | Pilak, O, Warkentin, E, Shima, S, Thauer, R.K, Ermler, U. | | Deposit date: | 2008-05-29 | | Release date: | 2008-12-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of [Fe]-hydrogenase reveals the geometry of the active site.
Science, 321, 2008
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3DAG
 | | The crystal structure of [Fe]-hydrogenase holoenzyme (HMD) from METHANOCALDOCOCCUS JANNASCHII | | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | | Authors: | Pilak, O, Warkentin, E, Shima, S, Thauer, R.K, Ermler, U. | | Deposit date: | 2008-05-29 | | Release date: | 2008-12-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of [Fe]-hydrogenase reveals the geometry of the active site.
Science, 321, 2008
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2RQP
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8HR3
 | | [D-Cys5,Asp7,Val8,D-Lys16]-STp(5-17) | | Descriptor: | DCY-CYS-ASP-VAL-CYS-CYS-ASN-PRO-ALA-CYS-ALA-DLY-CYS | | Authors: | Shimamoto, S, Hidaka, Y, Yoshino, S, Goto, M. | | Deposit date: | 2022-12-14 | | Release date: | 2023-09-20 | | Method: | SOLUTION NMR | | Cite: | The Molecular Basis of Heat-Stable Enterotoxin for Vaccine Development and Cancer Cell Detection.
Molecules, 28, 2023
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8HR4
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7VSO
 | | Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with HAD16 Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA | | Descriptor: | 2-[[(2R)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, ... | | Authors: | Mizohata, E, Nakane, T, Hanashima, S. | | Deposit date: | 2021-10-27 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Heavy Atom Detergent/Lipid Combined X-ray Crystallography for Elucidating the Structure-Function Relationships of Membrane Proteins.
Membranes (Basel), 11, 2021
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6EQO
 | | Tri-functional propionyl-CoA synthase of Erythrobacter sp. NAP1 with bound NADP+ and phosphomethylphosphonic acid adenylate ester | | Descriptor: | Acetyl-coenzyme A synthetase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Zarzycki, J, Bernhardsgruetter, I, Voegeli, B, Wagner, T, Engilberge, S, Girard, E, Shima, S, Erb, T.J. | | Deposit date: | 2017-10-13 | | Release date: | 2018-10-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The multicatalytic compartment of propionyl-CoA synthase sequesters a toxic metabolite.
Nat. Chem. Biol., 14, 2018
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8BGR
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6EP8
 | | InhA Y158F mutant in complex with NADH from Mycobacterium tuberculosis | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | | Authors: | Wagner, T, Voegeli, B, Rosenthal, R.G, Stoffel, G, Shima, S, Kiefer, P, Cortina, N, Erb, T.J. | | Deposit date: | 2017-10-11 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | InhA, the enoyl-thioester reductase fromMycobacterium tuberculosisforms a covalent adduct during catalysis.
J. Biol. Chem., 293, 2018
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1QV9
 | | Coenzyme F420-dependent methylenetetrahydromethanopterin dehydrogenase (Mtd) from Methanopyrus kandleri: A methanogenic enzyme with an unusual quarternary structure | | Descriptor: | F420-dependent methylenetetrahydromethanopterin dehydrogenase, MAGNESIUM ION | | Authors: | Hagemeier, C.H, Shima, S, Thauer, R.K, Bourenkov, G, Bartunik, H.D, Ermler, U. | | Deposit date: | 2003-08-27 | | Release date: | 2003-11-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Coenzyme F420-dependent methylenetetrahydromethanopterin dehydrogenase (Mtd) from Methanopyrus kandleri: a methanogenic enzyme with an unusual quarternary structure
J.Mol.Biol., 332, 2003
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3F47
 | | The Crystal Structure of [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii | | Descriptor: | 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | | Authors: | Hiromoto, T, Pilak, O, Warkentin, E, Thauer, R.K, Shima, S, Ermler, U. | | Deposit date: | 2008-10-31 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex.
Febs Lett., 583, 2009
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5OK4
 | | Crystal structure of native [Fe]-hydrogenase Hmd from Methanothermobacter marburgensis inactivated by O2. | | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, FE (III) ION, ... | | Authors: | Wagner, T, Huang, G, Bill, E, Ermler, U, Ataka, K, Shima, S. | | Deposit date: | 2017-07-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Dioxygen Sensitivity of [Fe]-Hydrogenase in the Presence of Reducing Substrates.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5ODR
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 2 minutes. | | Descriptor: | 1-THIOETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-06 | | Release date: | 2017-08-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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5T61
 | | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRICLINIC FORM AT 2.55 A | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, HYDROSULFURIC ACID, ... | | Authors: | Wagner, T, Ermler, U, Shima, S. | | Deposit date: | 2016-09-01 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Science, 354, 2016
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6QII
 | | Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ... | | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | | Deposit date: | 2019-01-19 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
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