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4N8L
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BU of 4n8l by Molmil
E249D mutant, RipA structure
Descriptor: Putative 4-hydroxybutyrate coenzyme A transferase
Authors:Torres, R, Goulding, C.W.
Deposit date:2013-10-17
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.817 Å)
Cite:Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
4N8J
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BU of 4n8j by Molmil
F60M mutant, RipA structure
Descriptor: ACETATE ION, COENZYME A, PHOSPHATE ION, ...
Authors:Torres, R, Goulding, C.W.
Deposit date:2013-10-17
Release date:2014-04-09
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
4N8H
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BU of 4n8h by Molmil
E61V mutant, RipA structure
Descriptor: 4-hydroxybutyrate coenzyme A transferase
Authors:Torres, R, Goulding, C.W.
Deposit date:2013-10-17
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
4NTQ
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BU of 4ntq by Molmil
CdiA-CT/CdiI toxin and immunity complex from Enterobacter cloacae
Descriptor: Contact-dependent inhibitor A, ECL CdiI
Authors:Morse, R.P, Goulding, C.W.
Deposit date:2013-12-02
Release date:2014-03-26
Last modified:2014-05-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CdiA from Enterobacter cloacae Delivers a Toxic Ribosomal RNase into Target Bacteria.
Structure, 22, 2014
4NL5
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BU of 4nl5 by Molmil
Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide
Descriptor: ACETATE ION, CYANIDE ION, Heme-degrading monooxygenase HmoB, ...
Authors:Morse, R.P, Chao, A, Goulding, C.W.
Deposit date:2013-11-13
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD.
Inorg.Chem., 53, 2014
4IHU
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BU of 4ihu by Molmil
Reduced form of disulfide bond oxdioreductase (DsbG) from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, Isomerase DsbG
Authors:Harmston, C.A, Goulding, C.W.
Deposit date:2012-12-19
Release date:2013-10-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Structural and biochemical characterization of the essential DsbA-like disulfide bond forming protein from Mycobacterium tuberculosis.
Bmc Struct.Biol., 13, 2013
4IVH
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BU of 4ivh by Molmil
Crystal structure of QKLVFFAED nonapeptide segment from amyloid beta incorporated into a macrocyclic beta-sheet template
Descriptor: SODIUM ION, TERTIARY-BUTYL ALCOHOL, cyclo[Gln-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-(delta-linked-Orn)-Hao-Lys-Hao-(p-bromoPhe)-Thr-(delta-linked-Orn)]
Authors:Pham, J.D, Chim, N, Goulding, C.W, Nowick, J.S.
Deposit date:2013-01-22
Release date:2013-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structures of beta-Amyloid Peptide Oligomers
J.Am.Chem.Soc., 2013
4Q7O
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BU of 4q7o by Molmil
The crystal structure of an immunity protein NMB0503 from Neisseria meningitidis MC58
Descriptor: BROMIDE ION, FORMIC ACID, Immunity protein
Authors:Tan, K, Stols, L, Eschenfeldt, W, Babnigg, G, Low, D.A, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Deposit date:2014-04-25
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of a contact-dependent growth-inhibition (CDI) immunity protein from Neisseria meningitidis MC58.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4LMP
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BU of 4lmp by Molmil
Mycobacterium tuberculosis L-alanine dehydrogenase x-ray structure in complex with N6-methyl adenosine
Descriptor: Alanine dehydrogenase, GLYCEROL, N-methyladenosine, ...
Authors:Kim, H.-B, Hung, L.-W, Goulding, C.W, Terwilliger, T.C, Kim, C.-Y, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2013-07-10
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Drug target analysis by dye-ligand affinity chromatography
To be Published
4LPM
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BU of 4lpm by Molmil
Frog M-ferritin with magnesium, D127E mutant
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Torres, R, Behera, R, Goulding, C.W, Theil, E.C.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:D127E ion channel exit modification in ferritin nanocages entraps Fe(II) and impairs its distribution to diiron catalytic centers
To be Published
4LPN
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BU of 4lpn by Molmil
Frog M-ferritin with cobalt, D127E mutant
Descriptor: CHLORIDE ION, COBALT (II) ION, Ferritin, ...
Authors:Torres, R, Behera, R, Goulding, C.W.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:D127E ion channel exit modification in ferritin nanocages entraps Fe(II) and impairs its distribution to diiron catalytic centers
To be Published
4N8I
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BU of 4n8i by Molmil
M31G mutant, RipA structure
Descriptor: 4-hydroxybutyrate coenzyme A transferase, ACETATE ION, COENZYME A
Authors:Torres, R, Goulding, C.W.
Deposit date:2013-10-17
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
4N8K
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BU of 4n8k by Molmil
E249A mutant, RipA structure
Descriptor: Putative 4-hydroxybutyrate coenzyme A transferase
Authors:Torres, R, Goulding, C.W.
Deposit date:2013-10-17
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
4G6V
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BU of 4g6v by Molmil
CdiA-CT/CdiI toxin and immunity complex from Burkholderia pseudomallei
Descriptor: Adhesin/hemolysin, BROMIDE ION, CdiI
Authors:Morse, R.P, Nikolakakis, K, Willet, J, Gerrick, E, Low, D.A, Hayes, C.S, Goulding, C.W.
Deposit date:2012-07-19
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis of toxicity and immunity in contact-dependent growth inhibition (CDI) systems.
Proc.Natl.Acad.Sci.USA, 109, 2012
4G6U
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BU of 4g6u by Molmil
CdiA-CT/CdiI toxin and immunity complex from Escherichia coli
Descriptor: ACETATE ION, CHLORIDE ION, EC869 CdiA-CT, ...
Authors:Morse, R.P, Nikolakakis, K, Willet, J, Gerrick, E, Low, D.A, Hayes, C.S, Goulding, C.W.
Deposit date:2012-07-19
Release date:2012-12-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Structural basis of toxicity and immunity in contact-dependent growth inhibition (CDI) systems.
Proc.Natl.Acad.Sci.USA, 109, 2012
4H8P
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BU of 4h8p by Molmil
NEAT5 domain of IsdX2, a B. anthracis hemophore in complex with heme
Descriptor: Iron Transport-associated domain protein, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION
Authors:Owens, C.P, Goulding, C.W.
Deposit date:2012-09-23
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Near-iron Transporter (NEAT) Domains of the Anthrax Hemophore IsdX2 Require a Critical Glutamine to Extract Heme from Methemoglobin.
J.Biol.Chem., 288, 2013
4H8Q
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BU of 4h8q by Molmil
Structure of the Q29T IsdX2-NEAT5 mutant in complex with heme
Descriptor: Iron Transport-associated domain protein, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION
Authors:Owens, C.P, Goulding, C.W.
Deposit date:2012-09-23
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Near-iron Transporter (NEAT) Domains of the Anthrax Hemophore IsdX2 Require a Critical Glutamine to Extract Heme from Methemoglobin.
J.Biol.Chem., 288, 2013
6DS8
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BU of 6ds8 by Molmil
Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
Descriptor: CHLORIDE ION, Heme-degrading monooxygenase HmoB, MANGANESE PROTOPORPHYRIN IX
Authors:Chao, A, Goulding, C.W.
Deposit date:2018-06-13
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
To Be Published
6DS7
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BU of 6ds7 by Molmil
Crystal structure of MhuD R26S mutant with two hemes bound per active site
Descriptor: CHLORIDE ION, Heme-degrading monooxygenase HmoB, PROTOPORPHYRIN IX CONTAINING FE
Authors:Chao, A, Goulding, C.W.
Deposit date:2018-06-13
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of MhuD R26S mutant with two hemes bound per active site
To Be Published
5FFP
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BU of 5ffp by Molmil
Crystal structure of CdiI from Burkholderia dolosa AUO158
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Immunity 23 family protein
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:2015-12-18
Release date:2016-01-20
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of CdiI from Burkholderia dolosa AUO158
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
5I4Q
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BU of 5i4q by Molmil
Contact-dependent inhibition system from Escherichia coli NC101 - ternary CdiA/CdiI/EF-Tu complex (domains 2 and 3)
Descriptor: CHLORIDE ION, Contact-dependent inhibitor A, Contact-dependent inhibitor I, ...
Authors:Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Deposit date:2016-02-12
Release date:2017-06-28
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of a novel antibacterial toxin that exploits elongation factor Tu to cleave specific transfer RNAs.
Nucleic Acids Res., 45, 2017
5I4R
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BU of 5i4r by Molmil
Contact-dependent inhibition system from Escherichia coli NC101 - ternary CdiA/CdiI/EF-Tu complex (trypsin-modified)
Descriptor: Contact-dependent inhibitor A, Contact-dependent inhibitor I, Elongation factor Tu, ...
Authors:Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Deposit date:2016-02-12
Release date:2017-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of a novel antibacterial toxin that exploits elongation factor Tu to cleave specific transfer RNAs.
Nucleic Acids Res., 45, 2017
5J43
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BU of 5j43 by Molmil
CdiA-CT from uropathogenic Escherichia coli in complex with CysK
Descriptor: Cysteine synthase A, tRNA nuclease CdiA
Authors:Morse, R.P, Goulding, C.W, Johnson, P.M.
Deposit date:2016-03-31
Release date:2016-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unraveling the essential role of CysK in CDI toxin activation.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
3SZ6
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BU of 3sz6 by Molmil
IsdX1, an anthrax hemophore
Descriptor: CHLORIDE ION, Conserved domain protein, GLYCEROL
Authors:Poor, C.B, Maresso, A.W, Murphy, F, He, C.
Deposit date:2011-07-18
Release date:2012-03-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Differential function of lip residues in the mechanism and biology of an anthrax hemophore.
Plos Pathog., 8, 2012

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PDB entries from 2024-05-15

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