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5JRR
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BU of 5jrr by Molmil
Crystal structure of native laccase from Thermus thermophilus HB27
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ...
Authors:Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
Deposit date:2016-05-06
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
5JSV
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BU of 5jsv by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)amino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
Descriptor: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G.
Deposit date:2016-05-09
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Application of carbohydrates based lin-benzoguanines in a solvent-exposed subpocket of the tRNA-modifying Enzyme TGT
To be Published
5JVB
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BU of 5jvb by Molmil
1.95A resolution structure of PtxB from Trichodesmium erythraeum IMS101 in complex with phosphite
Descriptor: PHOSPHONATE, Phosphonate ABC transporter, periplasmic phosphonate-binding protein
Authors:Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
Deposit date:2016-05-11
Release date:2017-11-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
5JX9
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BU of 5jx9 by Molmil
Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 5 min)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase
Authors:Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
Deposit date:2016-05-12
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
2FSH
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BU of 2fsh by Molmil
Complex SecA:AMP-PNP from Escherichia coli
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Preprotein translocase secA subunit
Authors:Papanikolau, Y, Petratos, K, Economou, A.
Deposit date:2006-01-23
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of dimeric SecA, the Escherichia coli preprotein translocase motor.
J.Mol.Biol., 366, 2007
5K0W
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BU of 5k0w by Molmil
Crystal structure of the metallo-beta-lactamase GOB-18 from Elizabethkingia meningoseptica
Descriptor: CHLORIDE ION, Class B carbapenemase GOB-18, GLYCEROL, ...
Authors:Buschiazzo, A, Larrieux, N, Vila, A.J, Lisa, M.N, Moran-Barrio, J.
Deposit date:2016-05-17
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structure of the Metallo-beta-Lactamase GOB in the Periplasmic Dizinc Form Reveals an Unusual Metal Site.
Antimicrob.Agents Chemother., 60, 2016
5JWD
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BU of 5jwd by Molmil
Crystal structure of H-2Db in complex with the LCMV-derived GP392-401 peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Buratto, J, Badia-Martinez, D, Norstrom, M, Sandalova, T, Achour, A.
Deposit date:2016-05-12
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of H-2Db in complex with the LCMV-derived peptides GP92 and GP392 explain pleiotropic effects of glycosylation on antigen presentation and immunogenicity.
PLoS ONE, 12, 2017
2G4F
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BU of 2g4f by Molmil
Structure of S.olivaceoviridis xylanase Q88A/R275A mutant
Descriptor: Hydrolase
Authors:Diertavitian, S, Kaneko, S, Fujimoto, Z, Kuno, A, Johansson, E, Lo Leggio, L.
Deposit date:2006-02-22
Release date:2007-03-06
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-based engineering of glucose specificity in a family 10 xylanase from Streptomyces olivaceoviridis E-86
PROCESS BIOCHEM, 47, 2012
5K1P
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BU of 5k1p by Molmil
Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant N346A/C348A in complex with AMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase
Authors:Weber, A.
Deposit date:2016-05-18
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Genetically encoded fluorophenylalanines enable insights into the recognition of lysine trimethylation by an epigenetic reader.
Chem.Commun.(Camb.), 52, 2016
5K26
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BU of 5k26 by Molmil
Structure of the SH3 domain of MLK3 bound to peptide generated from phage display
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase 11,Chimera protein of MLK3-SH3 and MIP
Authors:Kall, S.K, Lavie, A.
Deposit date:2016-05-18
Release date:2017-12-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Identification of two distinct peptide-binding pockets in the SH3 domain of human mixed-lineage kinase 3.
J. Biol. Chem., 293, 2018
2G8S
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BU of 2g8s by Molmil
Crystal structure of the soluble Aldose sugar dehydrogenase (Asd) from Escherichia coli in the apo-form
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glucose/sorbosone dehydrogenases, ...
Authors:Southall, S.M, Doel, J.J, Richardson, D.J, Oubrie, A.
Deposit date:2006-03-03
Release date:2006-08-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Soluble Aldose Sugar Dehydrogenase from Escherichia coli: A HIGHLY EXPOSED ACTIVE SITE CONFERRING BROAD SUBSTRATE SPECIFICITY.
J.Biol.Chem., 281, 2006
5KAR
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BU of 5kar by Molmil
Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ...
Authors:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2016-06-02
Release date:2016-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.142 Å)
Cite:Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity.
J.Biol.Chem., 291, 2016
5KDE
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BU of 5kde by Molmil
Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate
Descriptor: 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2-
Authors:Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2016-06-08
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
5KBP
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BU of 5kbp by Molmil
The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583
Descriptor: Glycosyl hydrolase, family 38, SULFATE ION
Authors:Tan, K, Chhor, G, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583
To Be Published
2FSG
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BU of 2fsg by Molmil
Complex SecA:ATP from Escherichia coli
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Preprotein translocase secA subunit
Authors:Papanikolau, Y, Petratos, K, Economou, A.
Deposit date:2006-01-23
Release date:2007-01-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of dimeric SecA, the Escherichia coli preprotein translocase motor.
J.Mol.Biol., 366, 2007
5K7D
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BU of 5k7d by Molmil
The structure of native pistol ribozyme, bound to Iridium
Descriptor: DNA/RNA 11-MER, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ...
Authors:Ren, A, Patel, D.
Deposit date:2016-05-26
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
2FVC
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BU of 2fvc by Molmil
Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone
Descriptor: 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one, polyprotein
Authors:Concha, N.O, Wonacott, A, Singh, O.
Deposit date:2006-01-30
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase.
J.Med.Chem., 49, 2006
5KA6
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BU of 5ka6 by Molmil
HIV-1 gp41 variant Q552R and L555M resistance mutations
Descriptor: Transmembrane protein gp41
Authors:Bhardwaj, A, Khasnis, M.D, Halkidis, K, Root, M.J.
Deposit date:2016-06-01
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Receptor Activation of HIV-1 Env Leads to Asymmetric Exposure of the gp41 Trimer.
PLoS Pathog., 12, 2016
2G34
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BU of 2g34 by Molmil
Human hepatitis B virus T=4 capsid strain adyw complexed with assembly effector HAP1
Descriptor: Core antigen
Authors:Bourne, C.R, Zlotnick, A.
Deposit date:2006-02-17
Release date:2006-11-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (5.053 Å)
Cite:Global Structural Changes in Hepatitis B Virus Capsids Induced by the Assembly Effector HAP1.
J.Virol., 80, 2006
5KDF
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BU of 5kdf by Molmil
Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate
Descriptor: CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ...
Authors:Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2016-06-08
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
2FYW
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BU of 2fyw by Molmil
Crystal Structure of a Conserved Protein of Unknown Function from Streptococcus pneumoniae
Descriptor: conserved hypothetical protein
Authors:Nocek, B, Hatzos, C, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-02-08
Release date:2006-03-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a conserved hypothetical protein from Streptococcus pneumoniae TIGR4
To be Published
5KGQ
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BU of 5kgq by Molmil
NMR structure and dynamics of Q4DY78, a conserved kinetoplasid-specific protein from Trypanosoma cruzi
Descriptor: Uncharacterized protein
Authors:D'Andrea, E.D, Retel, J.S, Diehl, A, Schmieder, P, Oschkinat, H, Pires, J.R.
Deposit date:2016-06-13
Release date:2017-07-05
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:NMR structure and dynamics of Q4DY78, a conserved kinetoplasid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 213, 2021
5KJ5
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BU of 5kj5 by Molmil
Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+
Descriptor: 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A.
Deposit date:2016-06-17
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
5KJP
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BU of 5kjp by Molmil
Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis H37Rv
Descriptor: Enoyl-CoA hydratase
Authors:Nocek, B, Hatzos-Skintges, C, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-06-20
Release date:2016-07-06
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis H37Rv
To Be Published
5KKG
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BU of 5kkg by Molmil
Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ...
Authors:Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V.
Deposit date:2016-06-21
Release date:2017-07-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017

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