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3HYX
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BU of 3hyx by Molmil
3-D X-Ray structure of the sulfide:quinone oxidoreductase from Aquifex aeolicus in complex with Aurachin C
Descriptor: 1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one, DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Marcia, M, Ermler, U, Peng, G.H, Michel, H.
Deposit date:2009-06-23
Release date:2009-07-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of Aquifex aeolicus sulfide:quinone oxidoreductase, a basis to understand sulfide detoxification and respiration
Proc.Natl.Acad.Sci.USA, 106, 2009
1T0M
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BU of 1t0m by Molmil
Conformational switch in polymorphic H-2K molecules containing an HSV peptide
Descriptor: Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ...
Authors:Webb, A.I, Borg, N.A, Dunstone, M.A, Kjer-Nielsen, L, Beddoe, T, McCluskey, J, Carbone, F.R, Bottomley, S.P, Purcell, A.W, Rossjohn, J.
Deposit date:2004-04-12
Release date:2004-11-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of H-2K(b) and K(bm8) complexed to a herpes simplex virus determinant: evidence for a conformational switch that governs T cell repertoire selection and viral resistance.
J Immunol., 173, 2004
3H65
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BU of 3h65 by Molmil
The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme in Complex with Methylenetetrahydromethanopterin
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, ...
Authors:Hiromoto, T, Warkentin, E, Shima, S, Ermler, U.
Deposit date:2009-04-23
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The crystal structure of an [Fe]-hydrogenase-substrate complex reveals the framework for H2 activation.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IQF
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BU of 3iqf by Molmil
Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methenyl-tetrahydromethanopterin
Descriptor: 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ...
Authors:Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U.
Deposit date:2009-08-20
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
1WZ9
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BU of 1wz9 by Molmil
The 2.1 A structure of a tumour suppressing serpin
Descriptor: Maspin precursor, SULFATE ION
Authors:Law, R.H, Irving, J.A, Buckle, A.M, Ruzyla, K, Buzza, M, Bashtannyk-Puhalovich, T.A, Beddoe, T.C, Kim, N, Worrall, D.M, Bottomley, S.P, Bird, P.I, Rossjohn, J, Whisstock, J.C.
Deposit date:2005-03-03
Release date:2005-03-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix.
J.Biol.Chem., 280, 2005
3B4V
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BU of 3b4v by Molmil
X-Ray structure of Activin in complex with FSTL3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Inhibin beta A chain, ...
Authors:Thompson, T.B.
Deposit date:2007-10-24
Release date:2008-09-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The structure of FSTL3.activin A complex. Differential binding of N-terminal domains influences follistatin-type antagonist specificity.
J.Biol.Chem., 283, 2008
1PCG
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BU of 1pcg by Molmil
Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions
Descriptor: ESTRADIOL, estrogen receptor, peptide inhibitor
Authors:Leduc, A.M, Trent, J.O, Wittliff, J.L, Bramlett, K.S, Briggs, S.L, Chirgadze, N.Y, Wang, Y, Burris, T.P, Spatola, A.F.
Deposit date:2003-05-16
Release date:2003-10-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions
Proc.Natl.Acad.Sci.USA, 100, 2003
3F47
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BU of 3f47 by Molmil
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
1QV9
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BU of 1qv9 by Molmil
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
1OQJ
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BU of 1oqj by Molmil
Crystal structure of the SAND domain from glucocorticoid modulatory element binding protein-1 (GMEB1)
Descriptor: Glucocorticoid Modulatory Element Binding protein-1, ZINC ION
Authors:Surdo, P.L, Bottomley, M.J, Sattler, M, Scheffzek, K.
Deposit date:2003-03-10
Release date:2003-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure and nuclear magnetic resonance analyses of the SAND domain from glucocorticoid modulatory element binding protein-1 reveals deoxyribonucleic acid and zinc binding regions
MOL.ENDOCRINOL., 17, 2003
1RGV
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BU of 1rgv by Molmil
Crystal Structure of the Ferredoxin from Thauera aromatica
Descriptor: IRON/SULFUR CLUSTER, ferredoxin
Authors:Unciuleac, M, Boll, M, Warkentin, E, Ermler, U.
Deposit date:2003-11-13
Release date:2004-02-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystallization of 4-hydroxybenzoyl-CoA reductase and the structure of its electron donor ferredoxin.
Acta Crystallogr.,Sect.D, 60, 2004
1RM6
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BU of 1rm6 by Molmil
Structure of 4-hydroxybenzoyl-CoA reductase from Thauera aromatica
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxybenzoyl-CoA reductase alpha subunit, ...
Authors:Unciuleac, M, Warkentin, E, Page, C.C, Dutton, P.L, Boll, M, Ermler, U.
Deposit date:2003-11-27
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a Xanthine Oxidase-Related 4-Hydroxybenzoyl-CoA Reductase with an Additional [4Fe-4S] Cluster and an Inverted Electron Flow
Structure, 12, 2004
1RHC
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BU of 1rhc by Molmil
F420-dependent secondary alcohol dehydrogenase in complex with an F420-acetone adduct
Descriptor: ACETONE, CHLORIDE ION, COENZYME F420, ...
Authors:Aufhammer, S.W, Warkentin, E, Berk, H, Shima, S, Thauer, R.K, Ermler, U.
Deposit date:2003-11-14
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Coenzyme binding in f(420)-dependent secondary alcohol dehydrogenase, a member of the bacterial luciferase family.
Structure, 12, 2004
2V3A
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BU of 2v3a by Molmil
Crystal structure of rubredoxin reductase from Pseudomonas aeruginosa.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D.
Deposit date:2007-06-14
Release date:2007-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa.
Proc.Natl.Acad.Sci.USA, 104, 2007
2V3B
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BU of 2v3b by Molmil
Crystal structure of the electron transfer complex rubredoxin - rubredoxin reductase from Pseudomonas aeruginosa.
Descriptor: FE (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, RUBREDOXIN 2, ...
Authors:Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D.
Deposit date:2007-06-14
Release date:2007-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa.
Proc.Natl.Acad.Sci.USA, 104, 2007
2VH4
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BU of 2vh4 by Molmil
Structure of a loop C-sheet serpin polymer
Descriptor: TENGPIN
Authors:Zhang, Q, Law, R.H.P, Bottomley, S.P, Whisstock, J.C, Buckle, A.M.
Deposit date:2007-11-19
Release date:2008-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A Structural Basis for Loop C-Sheet Polymerization in Serpins.
J.Mol.Biol., 376, 2008
2Y37
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The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
Deposit date:2010-12-19
Release date:2011-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
3MM5
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BU of 3mm5 by Molmil
Dissimilatory sulfite reductase in complex with the substrate sulfite
Descriptor: IRON/SULFUR CLUSTER, SIROHEME, SULFITE ION, ...
Authors:Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U.
Deposit date:2010-04-19
Release date:2010-07-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
3MPI
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BU of 3mpi by Molmil
Structure of the glutaryl-coenzyme A dehydrogenase glutaryl-CoA complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Glutaryl-CoA dehydrogenase, glutaryl-coenzyme A
Authors:Wischgoll, S, Warkentin, E, Boll, M, Ermler, U.
Deposit date:2010-04-27
Release date:2010-08-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for promoting and preventing decarboxylation in glutaryl-coenzyme a dehydrogenases.
Biochemistry, 49, 2010
3MK7
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BU of 3mk7 by Molmil
The structure of CBB3 cytochrome oxidase
Descriptor: 30-mer peptide, CALCIUM ION, COPPER (II) ION, ...
Authors:Buschmann, S, Warkentin, E, Michel, H, Ermler, U.
Deposit date:2010-04-14
Release date:2010-08-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Structure of cbb3 Cytochrome Oxidase Provides Insights into Proton Pumping
Science, 329, 2010
2MTQ
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Solution Structure of a De Novo Designed Peptide that Sequesters Toxic Heavy Metals
Descriptor: Designed Peptide
Authors:Plegaria, J.S, Zuiderweg, E.R, Stemmler, T.L, Pecoraro, V.L.
Deposit date:2014-08-28
Release date:2015-04-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Apoprotein Structure and Metal Binding Characterization of a de Novo Designed Peptide, alpha 3DIV, that Sequesters Toxic Heavy Metals.
Biochemistry, 54, 2015
3MM6
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BU of 3mm6 by Molmil
Dissimilatory sulfite reductase cyanide complex
Descriptor: CYANIDE ION, IRON/SULFUR CLUSTER, SIROHEME, ...
Authors:Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U.
Deposit date:2010-04-19
Release date:2010-07-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
3OYX
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BU of 3oyx by Molmil
Haloferax volcanii Malate Synthase Magnesium/Glyoxylate Complex
Descriptor: CHLORIDE ION, GLYOXYLIC ACID, MAGNESIUM ION, ...
Authors:Howard, B.R, Bracken, C, Neighbor, A, Thomas, G, Lamlenn, K.K, Schubert, H.L, Whitby, F.G.
Deposit date:2010-09-24
Release date:2011-06-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G.
Bmc Struct.Biol., 11, 2011
3MM9
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Dissimilatory sulfite reductase nitrite complex
Descriptor: IRON/SULFUR CLUSTER, NITRITE ION, SIROHEME, ...
Authors:Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U.
Deposit date:2010-04-19
Release date:2010-07-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
3MPJ
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Structure of the glutaryl-coenzyme A dehydrogenase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Glutaryl-CoA dehydrogenase, ...
Authors:Wischgoll, S, Warkentin, E, Boll, M, Ermler, U.
Deposit date:2010-04-27
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for promoting and preventing decarboxylation in glutaryl-coenzyme a dehydrogenases.
Biochemistry, 49, 2010

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