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5EKE
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BU of 5eke by Molmil
Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (F215A mutant)
Descriptor: MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501
Authors:Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Nat Commun, 7, 2016
5EMZ
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BU of 5emz by Molmil
Crystal structure of K48-linked diubiquitin with F45W mutation in the proximal unit
Descriptor: Polyubiquitin-B, SULFATE ION
Authors:Nakasone, M.A, Paukstelis, P.J, Fushman, D.
Deposit date:2015-11-07
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural characterization and practical fluorescence applications of the F45W ubiquitin mutant
To Be Published
5EKP
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BU of 5ekp by Molmil
Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (WT)
Descriptor: MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501
Authors:Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Nat Commun, 7, 2016
5EUE
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BU of 5eue by Molmil
S1P Lyase Bacterial Surrogate bound to N-(2-((4-methoxy-2,5-dimethylbenzyl)amino)-1-phenylethyl)-5-methylisoxazole-3-carboxamide
Descriptor: PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M.
Deposit date:2015-11-18
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
5EUD
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BU of 5eud by Molmil
S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide
Descriptor: PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M.
Deposit date:2015-11-18
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
4WFT
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BU of 4wft by Molmil
Crystal structure of tRNA-dihydrouridine(20) synthase dsRBD domain
Descriptor: tRNA-dihydrouridine(20) synthase [NAD(P)+]-like
Authors:Bou-Nader, C, Pecqueur, L, Kamah, A, Bregeon, D, Golinelli-Pimpaneau, B, Guimaraes, B.G, Fontecave, M, Hamdane, D.
Deposit date:2014-09-17
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An extended dsRBD is required for post-transcriptional modification in human tRNAs.
Nucleic Acids Res., 43, 2015
4X1E
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BU of 4x1e by Molmil
Crystal structure of unliganded E. coli transcriptional regulator RutR, W167A mutant
Descriptor: HTH-type transcriptional regulator RutR
Authors:Nguyen Le Minh, P, de Cima, S, Bervoets, I, Maes, D, Rubio, V, Charlier, D.
Deposit date:2014-11-24
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ligand binding specificity of RutR, a member of the TetR family of transcription regulators in Escherichia coli.
Febs Open Bio, 5, 2015
4X9E
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BU of 4x9e by Molmil
DEOXYGUANOSINETRIPHOSPHATE TRIPHOSPHOHYDROLASE from Escherichia coli with two DNA effector molecules
Descriptor: Deoxyguanosinetriphosphate triphosphohydrolase, MAGNESIUM ION, RNA (5'-R(P*CP*CP*C)-3')
Authors:Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M.
Deposit date:2014-12-11
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
4WRN
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BU of 4wrn by Molmil
Crystal structure of the polymerization region of human uromodulin/Tamm-Horsfall protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Uromodulin, ZINC ION, ...
Authors:Bokhove, M, De Sanctis, D, Jovine, L.
Deposit date:2014-10-24
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A structured interdomain linker directs self-polymerization of human uromodulin.
Proc.Natl.Acad.Sci.USA, 113, 2016
4WGL
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BU of 4wgl by Molmil
Crystal structure of a GroEL D83A/R197A double mutant
Descriptor: 60 kDa chaperonin
Authors:Yang, D, Fei, X, LaRonde, N.A, Beckett, D, Lund, P.A, Lorimer, G.H.
Deposit date:2014-09-19
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Crystal structure of a GroEL D83A/R197A double mutant
To Be Published
4WRT
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BU of 4wrt by Molmil
Crystal structure of Influenza B polymerase with bound vRNA promoter (form FluB2)
Descriptor: Influenza virus polymerase vRNA promoter 3' end, Influenza virus polymerase vRNA promoter 5' end, PA, ...
Authors:Reich, S, Guilligay, D, Pflug, A, Cusack, S.
Deposit date:2014-10-25
Release date:2014-11-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
2QA2
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BU of 2qa2 by Molmil
Crystal structure of CabE, an aromatic hydroxylase from angucycline biosynthesis, determined to 2.7 A resolution
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Polyketide oxygenase CabE
Authors:Koskiniemi, H, Dobritzsch, D, Metsa-Ketela, M, Kallio, P, Niemi, J, Schneider, G.
Deposit date:2007-06-14
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of two aromatic hydroxylases involved in the early tailoring steps of angucycline biosynthesis
J.Mol.Biol., 372, 2007
2QH7
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BU of 2qh7 by Molmil
MitoNEET is a uniquely folded 2Fe-2S outer mitochondrial membrane protein stabilized by pioglitazone
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH-type domain 1
Authors:Paddock, M.L, Wiley, S.E, Axelrod, H.L, Cohen, A.E, Roy, M, Abresch, E.C, Capraro, D, Murphy, A.N, Nechushtai, R, Dixon, J.E, Jennings, P.A.
Deposit date:2007-06-30
Release date:2007-08-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:MitoNEET is a uniquely folded 2Fe 2S outer mitochondrial membrane protein stabilized by pioglitazone.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1MNN
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BU of 1mnn by Molmil
Structure of the sporulation specific transcription factor Ndt80 bound to DNA
Descriptor: 5'-D(*AP*GP*TP*TP*TP*TP*TP*GP*TP*GP*TP*CP*GP*C)-3', 5'-D(*TP*GP*CP*GP*AP*CP*AP*CP*AP*AP*AP*AP*AP*C)-3', NDT80 protein
Authors:Lamoureux, J.S, Stuart, D, Tsang, R, Wu, C, Glover, J.N.
Deposit date:2002-09-05
Release date:2002-11-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the sporulation-specific transcription factor Ndt80 bound to DNA
Embo J., 21, 2002
2QJ6
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BU of 2qj6 by Molmil
Crystal structure analysis of a 14 repeat C-terminal fragment of toxin TcdA in Clostridium difficile
Descriptor: Toxin A
Authors:Albesa-Jove, D, Bertrand, T, Carpenter, L, Lim, J, Brown, K.A, Fairweather, N.
Deposit date:2007-07-06
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Solution and crystal structures of the cell binding domain of toxins TcdA and TcdB from Clostridium difficile
To be Published
1M0J
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BU of 1m0j by Molmil
solution structure of the beta domain of mt_nc
Descriptor: CADMIUM ION, metallothionein MT_nc
Authors:Capasso, C, Carginale, V, Crescenzi, O, Di Maro, D, Parisi, E, Spadaccini, R, Temussi, P.A.
Deposit date:2002-06-13
Release date:2003-05-06
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of MT_nc, a Novel Metallothionein from the Antarctic Fish Notothenia coriiceps.
Structure, 11, 2003
1LXN
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BU of 1lxn by Molmil
X-RAY STRUCTURE OF MTH1187 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET TT272
Descriptor: HYPOTHETICAL PROTEIN MTH1187, SULFATE ION
Authors:Tao, X, Khayat, R, Christendat, D, Savchenko, A, Xu, X, Edwards, A, Arrowsmith, C.H, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-06-05
Release date:2003-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of MTH1187 and its Yeast Ortholog YBL001C
Proteins, 52, 2003
2QW0
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BU of 2qw0 by Molmil
4-Chlorobenzoyl-CoA Ligase/Synthetase, I303A mutation, bound to 3,4 Dichlorobenzoate
Descriptor: 3,4-dichlorobenzoate, 4-Chlorobenzoate CoA Ligase
Authors:Wu, R, Reger, A.S, Cao, J, Gulick, A.M, Dunaway-Mariano, D.
Deposit date:2007-08-09
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range.
Biochemistry, 46, 2007
2QYA
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BU of 2qya by Molmil
Crystal structure of an uncharacterized conserved protein from Methanopyrus kandleri
Descriptor: Uncharacterized conserved protein
Authors:Bonanno, J.B, Zhang, A, Bain, K.T, Adams, J, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-14
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal structure of an uncharacterized conserved protein from Methanopyrus kandleri.
To be Published
1M54
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BU of 1m54 by Molmil
CYSTATHIONINE-BETA SYNTHASE: REDUCED VICINAL THIOLS
Descriptor: CYSTATHIONINE BETA-SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
Authors:Taoka, S, Lepore, B.W, Kabil, O, Ojha, S, Ringe, D, Banerjee, R.
Deposit date:2002-07-08
Release date:2002-08-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HUMAN CYSTATHIONINE BETA-SYNTHASE IS A HEME SENSOR PROTEIN. EVIDENCE THAT THE REDOX SENSOR IS HEME AND NOT THE VICINAL CYSTEINES IN THE CXXC MOTIF SEEN IN THE CRYSTAL STRUCTURE OF THE TRUNCATED ENZYME
BIOCHEMISTRY, 41, 2002
2Q9X
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BU of 2q9x by Molmil
Crystal structure of highly stable mutant Q40P/S47I/H93G of human fibroblast growth factor-1
Descriptor: GLYCEROL, Heparin-binding growth factor 1
Authors:Szlachcic, A, Zakrzewska, M, Krowarsch, D, Os, V, Helland, R, Otlewski, J.
Deposit date:2007-06-14
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of highly stable mutant Q40P/S47I/H93G of human fibroblast growth factor-1
To be Published
1MOJ
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BU of 1moj by Molmil
Crystal structure of an archaeal dps-homologue from Halobacterium salinarum
Descriptor: Dps-like ferritin, FE (III) ION, MAGNESIUM ION, ...
Authors:Zeth, K, Offermann, S, Essen, L.O, Oesterhelt, D.
Deposit date:2002-09-09
Release date:2004-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Iron-oxo clusters biomineralizing on protein surfaces: Structural analysis of Halobacterium salinarum DpsA in its low- and high-iron states.
Proc.Natl.Acad.Sci.USA, 101, 2004
2QJ0
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BU of 2qj0 by Molmil
Structure of the yeast U-box-containing ubiquitin ligase Ufd2p
Descriptor: Ubiquitin conjugation factor E4
Authors:Tu, D, Brunger, A.T.
Deposit date:2007-07-06
Release date:2007-09-18
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Inaugural Article: Structure and function of the yeast U-box-containing ubiquitin ligase Ufd2p.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QJP
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BU of 2qjp by Molmil
Crystal structure of wild type rhodobacter sphaeroides with stigmatellin and antimycin inhibited
Descriptor: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE, 2-O-octyl-beta-D-glucopyranose, ...
Authors:Esser, L, Xia, D.
Deposit date:2007-07-08
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibitor-complexed structures of the cytochrome bc1 from the photosynthetic bacterium Rhodobacter sphaeroides.
J.Biol.Chem., 283, 2008
2QKA
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Structural and Kinetic Study of the Differences between Human and E.coli Manganese Superoxide Dismutases
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn]
Authors:Zheng, J, Domsic, J.F, Cabelli, D, McKenna, R, Silverman, D.N.
Deposit date:2007-07-10
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and kinetic study of differences between human and Escherichia coli manganese superoxide dismutases.
Biochemistry, 46, 2007

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