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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
5N4I
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BU of 5n4i by Molmil
Crystal structure of OphA-DeltaC6 mutant W400A in complex with SAM
Descriptor: BICARBONATE ION, GLYCEROL, MALONATE ION, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 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
5O3X
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BU of 5o3x by Molmil
Structural characterization of the fast and promiscuous macrocyclase from plant - apo PCY1
Descriptor: CACODYLATE ION, Peptide cyclase 1
Authors:Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H.
Deposit date:2017-05-25
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
5O3V
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BU of 5o3v by Molmil
Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin B1
Descriptor: MAGNESIUM ION, Peptide cyclase 1, Putative presegetalin B1, ...
Authors:Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H.
Deposit date:2017-05-25
Release date:2018-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
1WA3
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BU of 1wa3 by Molmil
Mechanism of the Class I KDPG aldolase
Descriptor: 2-KETO-3-DEOXY-6-PHOSPHOGLUCONATE ALDOLASE, PYRUVIC ACID, SULFATE ION
Authors:Fullerton, S.W.B, Griffiths, J.S, Merkel, A.B, Wymer, N.J, Hutchins, M.J, Fierke, C.A, Toone, E.J, Naismith, J.H.
Deposit date:2004-10-22
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
5O3U
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BU of 5o3u by Molmil
Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin F1
Descriptor: Peptide cyclase 1, Putative presegetalin F1
Authors:Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H.
Deposit date:2017-05-25
Release date:2018-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
1WAU
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BU of 1wau by Molmil
Structure of KDPG Aldolase E45N mutant
Descriptor: KHG/KDPG ALDOLASE, SULFATE ION
Authors:Merkel, A.B, Naismith, J.H.
Deposit date:2004-10-28
Release date:2006-01-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
1WBH
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BU of 1wbh by Molmil
Crystal structure of the E45N mutant from KDPG aldolase from Escherichia coli
Descriptor: KHG/KDPG ALDOLASE, PHOSPHATE ION
Authors:Fullerton, S.W.B, Merkel, A.B, Naismith, J.H.
Deposit date:2004-11-01
Release date:2006-01-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
1WAM
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BU of 1wam by Molmil
Structure of UDP-galactopyranose mutase from Klebsiella Pneumoniae with FADH-
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE
Authors:Beis, K, Srikannathasan, V, Naismith, J.H.
Deposit date:2004-10-27
Release date:2006-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures of Mycobacteria Tuberculosis and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the Oxidised State and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the (Active) Reduced State.
J.Mol.Biol., 348, 2005
5O3W
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BU of 5o3w by Molmil
Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin A1
Descriptor: MAGNESIUM ION, Peptide cyclase 1, Presegetalin A1, ...
Authors:Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H.
Deposit date:2017-05-25
Release date:2018-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
5OUF
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BU of 5ouf by Molmil
Crystal structure of OphA-DeltaC6 mutant W400A in complex with Sinefungin
Descriptor: BICARBONATE ION, OphA peptide N-methyltransferase, SINEFUNGIN, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2017-08-23
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5OUT
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BU of 5out by Molmil
CRYSTAL STRUCTURE OF THE FERRIC ENTEROBACTIN RECEPTOR (PFEA) MUTANT (G324V) FROM PSEUDOMONAS AERUGINOSA
Descriptor: Ferric enterobactin receptor
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-08-24
Release date:2018-09-05
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
7Z1A
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BU of 7z1a by Molmil
Nanobody H11 and F2 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 Nanobody, H11 Nanobody, ...
Authors:Mikolajek, H, Naismith, J.H.
Deposit date:2022-02-24
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z1D
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BU of 7z1d by Molmil
Nanobody H11-H6 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, H11-H6 nanobody, ...
Authors:Mikolajek, H, Naismith, J.H.
Deposit date:2022-02-24
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z1E
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BU of 7z1e by Molmil
Nanobody H11-H4 Q98R H100E bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, H11-H4 Q98R H100E, ...
Authors:Mikolajek, H, Naismith, J.H.
Deposit date:2022-02-24
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z1C
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BU of 7z1c by Molmil
Nanobody H11-B5 and H11-F2 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Nanobody B5, ...
Authors:Mikolajek, H, Naismith, J.H.
Deposit date:2022-02-24
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z1B
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BU of 7z1b by Molmil
Nanobody H11-A10 and F2 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody A10, Nanobody F2, ...
Authors:Mikolajek, H, Naismith, J.H.
Deposit date:2022-02-24
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZB0
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BU of 7zb0 by Molmil
macrocyclase OphP with 15mer
Descriptor: 1,2-ETHANEDIOL, 15mer, 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 (2.47 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
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
7Z9R
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BU of 7z9r by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H4 Q98R H100E nanobody complex in 2Up1Down conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody H11-H4 Q98R H100E, ...
Authors:Weckener, M, Naismith, J.H.
Deposit date:2022-03-21
Release date:2022-07-13
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z9Q
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BU of 7z9q by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-A10 nanobody complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody H11-A10, ...
Authors:Weckener, M, Naismith, J.H.
Deposit date:2022-03-21
Release date:2022-07-13
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z85
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BU of 7z85 by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-B5 nanobody complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody H11-B5, ...
Authors:Weckener, M, Naismith, J.H.
Deposit date:2022-03-16
Release date:2022-07-13
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022

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数据于2024-05-15公开中

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