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2QUG
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BU of 2qug by Molmil
Crystal structure of alpha-1-antitrypsin, crystal form A
Descriptor: Alpha-1-antitrypsin
Authors:Hansen, G, Morton, C.J, Pearce, M.C, Feil, S.C, Adams, J.J, Parker, M.W, Bottomley, S.P.
Deposit date:2007-08-05
Release date:2008-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding.
Protein Sci., 17, 2008
4UX6
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BU of 4ux6 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, 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:2014-08-19
Release date:2014-10-08
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
4EG9
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BU of 4eg9 by Molmil
1.9 Angstrom resolution crystal structure of Se-methionine hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
Descriptor: CALCIUM ION, Uncharacterized protein SAOUHSC_02783
Authors:Biancucci, M, Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-30
Release date:2012-04-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 Angstrom resolution crystal structure of Se-methionine hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
TO BE PUBLISHED
4F6T
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BU of 4f6t by Molmil
The crystal structure of the molybdenum storage protein (MoSto) from Azotobacter vinelandii loaded with various polyoxometalates
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MO(6)-O(26) Cluster, ...
Authors:Kowalewski, B, Poppe, J, Schneider, K, Demmer, U, Warkentin, E, Ermler, U.
Deposit date:2012-05-15
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nature's Polyoxometalate Chemistry: X-ray Structure of the Mo Storage Protein Loaded with Discrete Polynuclear Mo-O Clusters.
J.Am.Chem.Soc., 134, 2012
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
4G9P
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BU of 4g9p by Molmil
Structure of the GcpE-MEcPP (IspG) complex from Thermus thermophilus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Rekittke, I, Jomaa, H, Ermler, U.
Deposit date:2012-07-24
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the GcpE (IspG)-MEcPP complex from Thermus thermophilus.
Febs Lett., 586, 2012
4G1B
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BU of 4g1b by Molmil
X-ray structure of yeast flavohemoglobin in complex with econazole
Descriptor: 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, ...
Authors:El Hammi, E, Warkentin, E, Demmer, U, Baciou, L, Ermler, U.
Deposit date:2012-07-10
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Active site analysis of yeast flavohemoglobin based on its structure with a small ligand or econazole.
Febs J., 279, 2012
4GI2
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BU of 4gi2 by Molmil
Crotonyl-CoA Carboxylase/Reductase
Descriptor: Crotonyl-CoA carboxylase/reductase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Weidenweber, S, Erb, T.J, Ermler, U.
Deposit date:2012-08-08
Release date:2013-08-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crotonyl-CoA Carboxylase/Reductase
To be Published
2OHI
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BU of 2ohi by Molmil
Crystal Structure of coenzyme F420H2 oxidase (FprA), a diiron flavoprotein, reduced state
Descriptor: CHLORIDE ION, FE (III) ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Seedorf, H, Warkentin, E, Ermler, U.
Deposit date:2007-01-10
Release date:2007-05-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Febs J., 274, 2007
2OGX
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BU of 2ogx by Molmil
The crystal structure of the molybdenum storage protein from Azotobacter vinelandii loaded with polyoxotungstates (WSto)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Molybdenum storage protein subunit alpha, ...
Authors:Schemberg, J, Warkentin, E, Ermler, U.
Deposit date:2007-01-09
Release date:2007-04-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Towards Biological Supramolecular Chemistry: A Variety of Pocket-Templated, Individual Metal Oxide Cluster Nucleations in the Cavity of a Mo/W-Storage Protein.
Angew.Chem.Int.Ed.Engl., 46, 2007
2OHH
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BU of 2ohh by Molmil
Crystal Structure of coenzyme F420H2 oxidase (FprA), a diiron flavoprotein, active oxidized state
Descriptor: FE (III) ION, FLAVIN MONONUCLEOTIDE, SULFATE ION, ...
Authors:Seedorf, H, Warkentin, E, Ermler, U.
Deposit date:2007-01-10
Release date:2007-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Febs J., 274, 2007
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
2OHJ
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BU of 2ohj by Molmil
Crystal Structure of coenzyme F420H2 oxidase (FprA), a diiron flavoprotein, inactive oxidized state
Descriptor: CHLORIDE ION, FE (III) ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Seedorf, H, Warkentin, E, Ermler, U.
Deposit date:2007-01-10
Release date:2007-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Febs J., 274, 2007
4GVS
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BU of 4gvs by Molmil
X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with N5-formyl-tetrahydromethanopterin
Descriptor: 1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, Methenyltetrahydromethanopterin cyclohydrolase
Authors:Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U.
Deposit date:2012-08-31
Release date:2012-10-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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
7NRU
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BU of 7nru by Molmil
Structure of a natural chimera of meningococcal factor H binding protein belonging to NL096 strain
Descriptor: Factor H binding protein variant 1-2,3.x, SULFATE ION
Authors:Veggi, D, Malito, E, Bottomley, M.J.
Deposit date:2021-03-04
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21998358 Å)
Cite:Structural characterization of a cross-protective natural chimera of factor H binding protein from meningococcal serogroup B strain NL096.
Comput Struct Biotechnol J, 20, 2022
4G1V
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BU of 4g1v by Molmil
X-ray structure of yeast flavohemoglobin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, NITRITE ION, ...
Authors:El Hammi, E, Warkentin, E, Demmer, U, Baciou, L, Ermler, U.
Deposit date:2012-07-11
Release date:2012-11-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Active site analysis of yeast flavohemoglobin based on its structure with a small ligand or econazole.
Febs J., 279, 2012
4GVQ
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X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with tetrahydromethanpterin
Descriptor: 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol, Methenyltetrahydromethanopterin cyclohydrolase
Authors:Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U.
Deposit date:2012-08-31
Release date:2012-10-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
4GVR
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BU of 4gvr by Molmil
X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase
Descriptor: Methenyltetrahydromethanopterin cyclohydrolase
Authors:Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U.
Deposit date:2012-08-31
Release date:2012-10-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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:2020-07-29
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
2PGO
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BU of 2pgo by Molmil
The crystal structure of FAD and ThDP dependent Cyclohexane-1,2-dione Hydrolase (Cdh) from Azoarcus sp. strain 22Lin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cyclohexane-1,2-dione Hydrolase (Cdh), ...
Authors:Steinbach, A.K, Warkentin, E, Kroneck, P.M.H, Ermler, U.
Deposit date:2007-04-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:The crystal structure of FAD and ThDP dependent Cyclohexane-1,2-dione Hydrolase (Cdh) from Azoarcus sp. strain 22Lin
To be Published
4HS7
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BU of 4hs7 by Molmil
2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with PEG.
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Bacterial extracellular solute-binding protein, putative, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-10-29
Release date:2012-11-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with PEG.
TO BE PUBLISHED
2MTQ
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BU of 2mtq by Molmil
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
2L8T
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Staphylococcus aureus pathogenicity island 1 protein gp6, an internal scaffold in size determination
Descriptor: Transposon Tn557 toxic shock syndrome toxin-1
Authors:Dearborn, A.D, Spilman, M.S, Damle, P.K, Chang, J.R, Monroe, E.B, Saad, J.S, Christie, G.E, Dokland, T.
Deposit date:2011-01-24
Release date:2011-08-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Staphylococcus aureus Pathogenicity Island 1 Protein gp6 Functions as an Internal Scaffold during Capsid Size Determination.
J.Mol.Biol., 412, 2011

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