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8DQM
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BU of 8dqm by Molmil
Crystal structure of isoaspartyl aminopeptidase from Roseivivax halodurans DSM 15395
Descriptor: Isoaspartyl aminopeptidase, SODIUM ION
Authors:Sharon, I, Schmeing, T.M.
Deposit date:2022-07-19
Release date:2023-04-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Bioinformatics of cyanophycin metabolism genes and characterization of promiscuous isoaspartyl dipeptidases that catalyze the final step of cyanophycin degradation.
Sci Rep, 13, 2023
8EIP
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BU of 8eip by Molmil
Crystal structure of cyanophycin dipeptide hydrolase CphZ E251A from Acinetobacter baylyi DSM587 in complex with beta-Asp-Arg
Descriptor: (2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid, MANGANESE (II) ION, Succinylglutamate desuccinylase, ...
Authors:Sharon, I, Schmeing, T.M.
Deposit date:2022-09-15
Release date:2023-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery of cyanophycin dipeptide hydrolase enzymes suggests widespread utility of the natural biopolymer cyanophycin.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EIN
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BU of 8ein by Molmil
Crystal structure of WT cyanophycin dipeptide hydrolase CphZ from Acinetobacter baylyi DSM587
Descriptor: MANGANESE (II) ION, Succinylglutamate desuccinylase, ZINC ION
Authors:Sharon, I, Schmeing, T.M.
Deposit date:2022-09-15
Release date:2023-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of cyanophycin dipeptide hydrolase enzymes suggests widespread utility of the natural biopolymer cyanophycin.
Proc.Natl.Acad.Sci.USA, 120, 2023
5D3Z
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BU of 5d3z by Molmil
Crystal structure of the thioesterase domain of deoxyerythronolide B synthase in complex with a small phosphonate inhibitor
Descriptor: CALCIUM ION, Erythronolide synthase, modules 5 and 6, ...
Authors:Bergeret, F, Argyropoulos, P, Boddy, C.N, Schmeing, T.M.
Deposit date:2015-08-06
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis.
Biochim.Biophys.Acta, 1860, 2015
5D3K
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BU of 5d3k by Molmil
Crystal structure of the thioesterase domain of deoxyerythronolide B synthase
Descriptor: CALCIUM ION, Erythronolide synthase, modules 5 and 6, ...
Authors:Bergeret, F, Argyropoulos, P, Boddy, C.N, Schmeing, T.M.
Deposit date:2015-08-06
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis.
Biochim.Biophys.Acta, 1860, 2015
4JN5
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BU of 4jn5 by Molmil
Crystal structures of the first condensation domain of the CDA synthetase
Descriptor: CDA peptide synthetase I
Authors:Bloudoff, K, Schmeing, T.M.
Deposit date:2013-03-14
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal Structures of the First Condensation Domain of CDA Synthetase Suggest Conformational Changes during the Synthetic Cycle of Nonribosomal Peptide Synthetases.
J.Mol.Biol., 425, 2013
5DUA
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BU of 5dua by Molmil
First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 3a
Descriptor: CDA peptide synthetase I, CHLORIDE ION, N-pentyl-L-alaninamide
Authors:Bloudoff, K, Alonzo, D.A, Schmeing, T.M.
Deposit date:2015-09-18
Release date:2016-03-30
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chemical Probes Allow Structural Insight into the Condensation Reaction of Nonribosomal Peptide Synthetases.
Cell Chem Biol, 23, 2016
4JN3
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BU of 4jn3 by Molmil
Crystal structures of the first condensation domain of the CDA synthetase
Descriptor: CDA peptide synthetase I
Authors:Bloudoff, K, Schmeing, T.M.
Deposit date:2013-03-14
Release date:2013-06-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal Structures of the First Condensation Domain of CDA Synthetase Suggest Conformational Changes during the Synthetic Cycle of Nonribosomal Peptide Synthetases.
J.Mol.Biol., 425, 2013
5U89
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BU of 5u89 by Molmil
Crystal structure of a cross-module fragment from the dimodular NRPS DhbF
Descriptor: 5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine, Amino acid adenylation domain protein, MbtH domain protein
Authors:Tarry, M.J, Schmeing, T.M.
Deposit date:2016-12-14
Release date:2017-05-10
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (3.075 Å)
Cite:X-Ray Crystallography and Electron Microscopy of Cross- and Multi-Module Nonribosomal Peptide Synthetase Proteins Reveal a Flexible Architecture.
Structure, 25, 2017
5T3E
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BU of 5t3e by Molmil
Crystal structure of a nonribosomal peptide synthetase heterocyclization domain.
Descriptor: Bacillamide synthetase heterocyclization domain, SULFATE ION
Authors:Bloudoff, K, Schmeing, T.M.
Deposit date:2016-08-25
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural and mutational analysis of the nonribosomal peptide synthetase heterocyclization domain provides insight into catalysis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6CI5
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BU of 6ci5 by Molmil
Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis in complex with UDP-4,6-dideoxy-4-formamido-L-AltNAc and tetrahydrofolate
Descriptor: (2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
Authors:Reimer, J.M, Harb, I, Schmeing, T.M.
Deposit date:2018-02-23
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.00003052 Å)
Cite:Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
6CI4
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BU of 6ci4 by Molmil
Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis soaked with UDP-4-amino-4,6-dideoxy-L-AltNAc
Descriptor: (2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, formyltransferase PseJ
Authors:Harb, I, Reimer, J.M, Schmeing, T.M.
Deposit date:2018-02-23
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.824068 Å)
Cite:Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
6CI2
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BU of 6ci2 by Molmil
Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, formyltransferase PseJ
Authors:Reimer, J.M, Jiang, J, Harb, I, Schmeing, T.M.
Deposit date:2018-02-23
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
6OZZ
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BU of 6ozz by Molmil
N terminally deleted GapR crystal structure from C. crescentus
Descriptor: UPF0335 protein CC_3319
Authors:Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M.
Deposit date:2019-05-16
Release date:2019-11-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.304 Å)
Cite:Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
6OZX
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BU of 6ozx by Molmil
Wild type GapR crystal structure 1 from C. crescentus
Descriptor: UPF0335 protein CC_3319
Authors:Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M.
Deposit date:2019-05-16
Release date:2019-11-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
6OZY
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BU of 6ozy by Molmil
Wild type GapR crystal structure 2 from C. crescentus
Descriptor: CADMIUM ION, UPF0335 protein CC_3319
Authors:Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M.
Deposit date:2019-05-16
Release date:2019-11-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.014 Å)
Cite:Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
8FXH
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BU of 8fxh by Molmil
Cryo-EM structure of Stanieria sp. CphA2
Descriptor: RimK domain-containing protein ATP-grasp
Authors:Markus, L.M, Sharon, I, Strauss, M, Schmeing, T.M.
Deposit date:2023-01-24
Release date:2023-06-14
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure and function of a hexameric cyanophycin synthetase 2.
Protein Sci., 32, 2023
8FXI
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BU of 8fxi by Molmil
Cryo-EM structure of Stanieria sp. CphA2 in complex with ADPCP and 4x(beta-Asp-Arg)
Descriptor: 1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol, 4x(beta-Asp-Arg), MAGNESIUM ION, ...
Authors:Markus, L.M, Sharon, I, Strauss, M, Schmeing, T.M.
Deposit date:2023-01-24
Release date:2023-06-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure and function of a hexameric cyanophycin synthetase 2.
Protein Sci., 32, 2023
8F7G
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BU of 8f7g by Molmil
The condensation domain of surfactin A synthetase C in space group P212121
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
8F7F
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BU of 8f7f by Molmil
The condensation domain of surfactin A synthetase C in space group P43212
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
6ULX
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BU of 6ulx by Molmil
Adenylation domain of a keto acid-selecting NRPS module bound to keto acyl adenylate space group P43212
Descriptor: 5'-O-{(S)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine, Amino acid adenylation domain-containing protein, SULFATE ION
Authors:Alonzo, D.A, Chiche-Lapierre, C, Schmeing, T.M.
Deposit date:2019-10-08
Release date:2020-02-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
6ULZ
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BU of 6ulz by Molmil
Adenylation domain of the initiation module of LgrA mutant P483M
Descriptor: 3-METHYL-2-OXOBUTANOIC ACID, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, FORMIC ACID, ...
Authors:Chiche-Lapierre, C, Alonzo, D.A, Schmeing, T.M.
Deposit date:2019-10-08
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
6ULW
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BU of 6ulw by Molmil
Adenylation, ketoreductase, and pseudo Asub multidomain structure of a keto acid-selecting NRPS module
Descriptor: Amino acid adenylation domain-containing protein, CALCIUM ION, MAGNESIUM ION
Authors:Alonzo, D.A, Wang, J, Chiche-Lapierre, C, Schmeing, T.M.
Deposit date:2019-10-08
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
6ULY
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BU of 6uly by Molmil
Adenylation domain of a keto acid-selecting NRPS module bound to keto acyl adenylate space group P212121
Descriptor: 5'-O-{(S)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine, Amino acid adenylation domain-containing protein, GLYCEROL, ...
Authors:Alonzo, D.A, Chiche-Lapierre, C, Schmeing, T.M.
Deposit date:2019-10-08
Release date:2020-02-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
5DU9
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BU of 5du9 by Molmil
First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 2a
Descriptor: (2S)-2-amino-N-butyl-propanamide, CDA peptide synthetase I, CHLORIDE ION, ...
Authors:Bloudoff, K, Alonzo, D.A, Schmeing, T.M.
Deposit date:2015-09-18
Release date:2016-03-30
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemical Probes Allow Structural Insight into the Condensation Reaction of Nonribosomal Peptide Synthetases.
Cell Chem Biol, 23, 2016

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