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5CXW
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BU of 5cxw by Molmil
Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V
Descriptor: (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2015-07-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
6UG5
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BU of 6ug5 by Molmil
Closed Dimer of Y77A Mutant Putative Ryanodine Receptor from Bacteroides thetaiotaomicron VPI-5482
Descriptor: GLYCEROL, Putative ryanodine receptor
Authors:Wu, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2019-09-25
Release date:2020-08-05
Method:X-RAY DIFFRACTION (2.357 Å)
Cite:Closed Dimer of Y77A Mutant Putative Ryanodine Receptor from Bacteroides thetaiotaomicron VPI-5482
To Be Published
5BMZ
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BU of 5bmz by Molmil
Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 24mer DNA.
Descriptor: DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3'), HcaR protein
Authors:Kim, Y, Joachimiak, G, Biglow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-05-25
Release date:2015-10-14
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 24mer DNA.
To Be Published
5BS6
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BU of 5bs6 by Molmil
Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI
Descriptor: 1,2-ETHANEDIOL, transcriptional regulator AraR
Authors:Chang, C, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-01
Release date:2015-06-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
5VDB
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BU of 5vdb by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 3
Descriptor: (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794
Authors:Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
4XA9
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BU of 4xa9 by Molmil
Crystal structure of the complex between the N-terminal domain of RavJ and LegL1 from Legionella pneumophila str. Philadelphia
Descriptor: Gala protein type 1, 3 or 4, Uncharacterized protein
Authors:Stogios, P.J, Cuff, M.E, Nocek, B, Evdokimova, E, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-12-13
Release date:2015-01-28
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol. Syst. Biol., 12, 2016
5BMQ
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BU of 5bmq by Molmil
Crystal structure of L,D-transpeptidase (Yku) from Stackebrandtia nassauensis
Descriptor: 1,4-DIETHYLENE DIOXIDE, ErfK/YbiS/YcfS/YnhG family protein, GLYCEROL, ...
Authors:Chang, C, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-05-22
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of L,D-transpeptidases (Yku)
To be Published
5BP8
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BU of 5bp8 by Molmil
ent-Copalyl diphosphate synthase from Streptomyces platensis
Descriptor: 1,2-ETHANEDIOL, Ent-copalyl diphosphate synthase, SULFATE ION
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Ma, M, Chang, C.-Y, Shen, B, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-05-27
Release date:2015-06-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the ent-Copalyl Diphosphate Synthase PtmT2 from Streptomyces platensis CB00739, a Bacterial Type II Diterpene Synthase.
J.Am.Chem.Soc., 138, 2016
5C00
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BU of 5c00 by Molmil
MdbA protein, a thiol-disulfide oxidoreductase from Corynebacterium diphtheriae
Descriptor: MdbA protein
Authors:OSIPIUK, J, REARDON-ROBINSON, M.E, TON-THAT, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-11
Release date:2015-07-15
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A thiol-disulfide oxidoreductase of the Gram-positive pathogen Corynebacterium diphtheriae is essential for viability, pilus assembly, toxin production and virulence.
Mol.Microbiol., 98, 2015
5VVI
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BU of 5vvi by Molmil
Crystal Structure of the Ligand Binding Domain of LysR-type Transcriptional Regulator, OccR from Agrobacterium tumefaciens in the Complex with Octopine
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kim, Y, Chhor, G, Jedrzejczak, R, Winans, S.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-05-19
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure of the Ligand-Binding Domain of a LysR-type Transcriptional Regulator: Transcriptional Activation via a Rotary Switch.
Mol. Microbiol., 2018
5CD2
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BU of 5cd2 by Molmil
The crystal structure of endo-1,4-D-glucanase from Vibrio fischeri ES114
Descriptor: CHLORIDE ION, Endo-1,4-D-glucanase, GLYCEROL, ...
Authors:Tan, K, Li, H, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-07-02
Release date:2015-07-22
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The crystal structure of endo-1,4-D-glucanase from Vibrio fischeri ES114
To Be Published
5CJ3
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BU of 5cj3 by Molmil
Crystal structure of the zorbamycin binding protein (ZbmA) from Streptomyces flavoviridis with zorbamycin
Descriptor: CHLORIDE ION, COPPER (II) ION, Zbm binding protein, ...
Authors:Chang, C, Bigelow, L, Clancy, S, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Rudolf, J.D, Ma, M, Chang, C.-Y, Lohman, J.R, Yang, D, Shen, B, Enzyme Discovery for Natural Product Biosynthesis, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-07-13
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6499 Å)
Cite:Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
5CYV
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BU of 5cyv by Molmil
Crystal structure of CouR from Rhodococcus jostii RHA1 bound to p-coumaroyl-CoA
Descriptor: ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Stogios, P.J, Xu, X, Dong, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-07-30
Release date:2015-08-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The activity of CouR, a MarR family transcriptional regulator, is modulated through a novel molecular mechanism.
Nucleic Acids Res., 44, 2016
5CR9
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BU of 5cr9 by Molmil
Crystal structure of ABC-type Fe3+-hydroxamate transport system from Saccharomonospora viridis DSM 43017
Descriptor: ABC-type Fe3+-hydroxamate transport system, periplasmic component, GLUTAMIC ACID, ...
Authors:Nocek, B, Cuff, M, Mack, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-07-22
Release date:2015-08-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of ABC-type Fe3+-hydroxamate transport system from Saccharomonospora viridis DSM 43017
To Be Published
5DD4
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BU of 5dd4 by Molmil
Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, TRANSCRIPTIONAL REGULATOR AraR
Authors:Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
5DDG
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BU of 5ddg by Molmil
The structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with target double strand DNA
Descriptor: DNA (27-MER), FORMIC ACID, MALONIC ACID, ...
Authors:Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
5E3E
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BU of 5e3e by Molmil
Crystal structure of CdiA-CT/CdiI complex from Y. kristensenii 33638
Descriptor: CdiI immunity protein, Large exoprotein involved in heme utilization or adhesion, SODIUM ION
Authors:Michalska, K, Joachimiak, G, Jedrzejczak, R, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-10-02
Release date:2015-11-25
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The CDI toxin of Yersinia kristensenii is a novel bacterial member of the RNase A superfamily.
Nucleic Acids Res., 45, 2017
5DEQ
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BU of 5deq by Molmil
Crystal structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with L-arabinose
Descriptor: FORMIC ACID, SULFATE ION, TRANSCRIPTIONAL REGULATOR AraR, ...
Authors:Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-08-25
Release date:2015-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
5DGG
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BU of 5dgg by Molmil
Central domain of uncharacterized Lpg1148 protein from Legionella pneumophila
Descriptor: CHLORIDE ION, Uncharacterized protein
Authors:Osipiuk, J, Evdokimova, E, Yim, V, Joachimiak, A, Ensminger, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-08-27
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol. Syst. Biol., 12, 2016
5E7Q
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BU of 5e7q by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis
Descriptor: GLYCEROL, SULFATE ION, acyl-CoA synthetase
Authors:Osipiuk, J, Cuff, M.E, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-10-12
Release date:2015-10-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5DN1
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BU of 5dn1 by Molmil
Crystal structure of Phosphoribosyl isomerase A from Streptomyces coelicolor
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, GLYCEROL, Phosphoribosyl isomerase A, ...
Authors:Chang, C, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-09-09
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
5C0P
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BU of 5c0p by Molmil
The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endo-arabinase, ...
Authors:Tan, K, Cuff, M, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-12
Release date:2015-07-01
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482
To Be Published
5E2H
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BU of 5e2h by Molmil
Crystal Structure of D-alanine Carboxypeptidase AmpC from Mycobacterium smegmatis
Descriptor: Beta-lactamase, CHLORIDE ION, GLYCEROL
Authors:Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-10-01
Release date:2015-10-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of D-alanine Carboxypeptidase AmpC from Mycobacterium smegmatis
To Be Published
5HKQ
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BU of 5hkq by Molmil
Crystal structure of CDI complex from Escherichia coli STEC_O31
Descriptor: CdiI immunity protein, Contact-dependent inhibitor A
Authors:Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2020-03-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional plasticity of antibacterial EndoU toxins.
Mol.Microbiol., 109, 2018
5EVL
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BU of 5evl by Molmil
Crystal Structure of Beta-Lactamase/D-Alanine Carboxypeptidase from Chromobacterium violaceum
Descriptor: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
Authors:Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-11-19
Release date:2015-12-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal Structure of Beta-Lactamase/D-Alanine Carboxypeptidase from Chromobacterium violaceum
To Be Published

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