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PDB: 762 results

5MZS
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BU of 5mzs by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) mutant (R480A_Q482A) from Pseudomonas aeruginosa
Descriptor: Ferric enterobactin receptor
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-02-01
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
1S48
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BU of 1s48 by Molmil
Crystal structure of RNA-dependent RNA polymerase construct 1 (residues 71-679) from BVDV
Descriptor: RNA-dependent RNA polymerase
Authors:Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G.
Deposit date:2004-01-15
Release date:2004-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1S4F
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BU of 1s4f by Molmil
Crystal Structure of RNA-dependent RNA polymerase construct 2 from bovine viral diarrhea virus (BVDV)
Descriptor: RNA-dependent RNA polymerase
Authors:Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G.
Deposit date:2004-01-16
Release date:2004-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5NC3
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BU of 5nc3 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with the tris-catechol vector
Descriptor: FE (III) ION, Ferric enterobactin receptor, ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-03-03
Release date:2018-03-21
Last modified:2022-08-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
5WPU
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BU of 5wpu by Molmil
Crystal structure HpiC1 Y101S
Descriptor: 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
5WPS
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BU of 5wps by Molmil
Crystal structure HpiC1 Y101F
Descriptor: 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.389 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
4HXY
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BU of 4hxy by Molmil
PlmKR1-Ketoreductase from the first module of phoslactomycin biosynthesis in Streptomyces sp. HK803
Descriptor: 6-AMINOHEXANOIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Plm1
Authors:Whicher, J.R, Smith, J.L.
Deposit date:2012-11-12
Release date:2013-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and Stereochemical Analysis of a Modular Polyketide Synthase Ketoreductase Domain Required for the Generation of a cis-Alkene.
Chem.Biol., 20, 2013
5NR2
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BU of 5nr2 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with azotochelin
Descriptor: 1,2-ETHANEDIOL, Azotochelin, FE (III) ION, ...
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-04-21
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
5WPR
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BU of 5wpr by Molmil
Crystal structure HpiC1 in C2 space group
Descriptor: 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
5NC4
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BU of 5nc4 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with protochelin from Pseudomonas aeruginosa
Descriptor: FE (III) ION, Ferric enterobactin receptor, ~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-03-03
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
5VE4
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BU of 5ve4 by Molmil
Crystal structure of persulfide dioxygenase-rhodanese fusion protein with rhodanese domain inactivating mutation (C314S) from Burkholderia phytofirmans
Descriptor: BpPRF, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R.
Deposit date:2017-04-03
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation.
J. Biol. Chem., 292, 2017
5VE5
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BU of 5ve5 by Molmil
Crystal structure of persulfide dioxygenase rhodanese fusion protein with rhodanese domain inactivating mutation (C314S) from Burkholderia phytofirmans in complex with glutathione
Descriptor: BpPRF, CHLORIDE ION, FE (III) ION, ...
Authors:Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R.
Deposit date:2017-04-03
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation.
J. Biol. Chem., 292, 2017
5W3V
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BU of 5w3v by Molmil
Crystal Structure of macaque APOBEC3H in complex with RNA
Descriptor: Apobec3H, RNA (5'-R(P*AP*AP*CP*CP*CP*CP*GP*GP*GP*C)-3'), RNA (5'-R(P*AP*AP*CP*CP*CP*GP*GP*GP*GP*A)-3'), ...
Authors:Bohn, J.A, Thummar, K, York, A, Raymond, A, Brown, W.C, Bieniasz, P.D, Hatziioannou, T, Smith, J.L.
Deposit date:2017-06-08
Release date:2017-10-25
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:APOBEC3H structure reveals an unusual mechanism of interaction with duplex RNA.
Nat Commun, 8, 2017
7ZAZ
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BU of 7zaz by Molmil
macrocyclase OphP with ZPP
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, DIMETHYL SULFOXIDE, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2022-03-23
Release date:2022-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
7ZB2
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BU of 7zb2 by Molmil
apo macrocyclase OphP
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2022-03-23
Release date:2022-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
7ZB1
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BU of 7zb1 by Molmil
S580A with 18mer
Descriptor: 1,2-ETHANEDIOL, 18mer, BICARBONATE ION, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2022-03-23
Release date:2022-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
4GBM
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BU of 4gbm by Molmil
Sulfotransferase Domain from the Curacin Biosynthetic Pathway
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, CHLORIDE ION, CurM Sulfotransferase, ...
Authors:McCarthy, J.G, Smith, J.L.
Deposit date:2012-07-27
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural basis of functional group activation by sulfotransferases in complex metabolic pathways.
Acs Chem.Biol., 7, 2012
4MZ0
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BU of 4mz0 by Molmil
Structure of a ketosynthase-acyltransferase di-domain from module CurL of the curacin A polyketide synthase
Descriptor: CALCIUM ION, CurL
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
6NEU
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BU of 6neu by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant
Descriptor: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
5N4C
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BU of 5n4c by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - S577A mutant
Descriptor: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
6NEV
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BU of 6nev by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant
Descriptor: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
5N4D
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BU of 5n4d by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - D661A mutant
Descriptor: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5N0R
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BU of 5n0r by Molmil
Crystal structure of OphA-DeltaC6 mutant Y66F in complex with SAM
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide N-methyltransferase, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
4MYY
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BU of 4myy by Molmil
Structure of a class 2 docking domain complex from modules CurG and CurH of the curacin A polyketide synthase
Descriptor: CurG, CurH fusion protein, SULFATE ION
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
4MYZ
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BU of 4myz by Molmil
Structure of a class 2 docking domain complex from modules CurK and CurL of the curacin A polyketide synthase
Descriptor: CurK, CurL fusion protein
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013

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