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8XHP
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BU of 8xhp by Molmil
The apo structure of SsBcmC
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, Fe/2OG dependent dioxygenase, ...
Authors:Wu, L, Tang, G.L, Zhou, J.H.
Deposit date:2023-12-18
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.86000824 Å)
Cite:Three distinct strategies lead to programmable aliphatic C-H oxidation in bicyclomycin biosynthesis.
Nat Commun, 16, 2025
8XHT
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BU of 8xht by Molmil
The apo structure of PaBcmG
Descriptor: 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, FE (II) ION, ...
Authors:Wu, L, Tang, G.L, Zhou, J.H.
Deposit date:2023-12-18
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.81953633 Å)
Cite:Three distinct strategies lead to programmable aliphatic C-H oxidation in bicyclomycin biosynthesis.
Nat Commun, 16, 2025
8XHY
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BU of 8xhy by Molmil
The complex structure of mutant T307A of SsBcmE and its natural substrate cIL
Descriptor: (3~{S},6~{S})-3-[(2~{S})-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione, 2-OXOGLUTARIC ACID, FE (II) ION, ...
Authors:Wu, L, Tang, G.L, Zhou, J.H.
Deposit date:2023-12-18
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.71001971 Å)
Cite:Three distinct strategies lead to programmable aliphatic C-H oxidation in bicyclomycin biosynthesis.
Nat Commun, 16, 2025
7FE5
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BU of 7fe5 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
Descriptor: AvmM, CACODYLATE ION, CHLORIDE ION
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-07-19
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
7FE6
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BU of 7fe6 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
Descriptor: Alchivemycin A, AvmM, CHLORIDE ION
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-07-19
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
7FE0
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BU of 7fe0 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
Descriptor: AvmM, CACODYLATE ION, CHLORIDE ION, ...
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-07-19
Release date:2021-09-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
7V3E
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BU of 7v3e by Molmil
The complex structure of soBcmB and its intermediate product 1a
Descriptor: (3S,6Z)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V2T
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BU of 7v2t by Molmil
The complex structure of SoBcmB and its natural precursor 2
Descriptor: (3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Zhou, J.H, Wu, L.
Deposit date:2021-08-09
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.20005679 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V2X
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BU of 7v2x by Molmil
The complex structure of soBcmB and its substrate 1
Descriptor: (3S,6S)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dion, 2-OXOGLUTARIC ACID, FE (II) ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.08387423 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V3O
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BU of 7v3o by Molmil
The structure of Se-SoBcmB with Fe(II)and AKG
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, FE (II) ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.83004665 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V2U
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BU of 7v2u by Molmil
The complex structure of SoBcmB and its product 2f
Descriptor: (1S,5S,6S)-5-methyl-1-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-09
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.00009918 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V34
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BU of 7v34 by Molmil
The complex structure of soBcmB and its product 1d
Descriptor: (3S,4S,5S,8S)-8-[(2S)-butan-2-yl]-3-methyl-3,4-bis(oxidanyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.000169 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V36
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BU of 7v36 by Molmil
The complex structure of soBcmB and its intermediate product 2a
Descriptor: (3Z,6S)-3-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.96009171 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7WJ6
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BU of 7wj6 by Molmil
Crystal Structure of the Kinase Domain of a Class III Lanthipeptide Synthetase CurKC
Descriptor: MAGNESIUM ION, Serine/threonine protein kinase
Authors:Huang, S, Wang, H.
Deposit date:2022-01-05
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a Unique Structural Motif in Lanthipeptide Synthetases for Substrate Binding and Interdomain Interactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WJ7
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BU of 7wj7 by Molmil
Crystal Structure of the Kinase Domain with Adenosine of a Class III Lanthipeptide Synthetase CurKC
Descriptor: 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Serine/threonine protein kinase
Authors:Huang, S, Wang, H.
Deposit date:2022-01-05
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a Unique Structural Motif in Lanthipeptide Synthetases for Substrate Binding and Interdomain Interactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7V3N
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BU of 7v3n by Molmil
The complex structure of soBcmB-D307A and its natural precursor 2
Descriptor: (3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione, 2-OXOGLUTARIC ACID, FE (II) ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.850011 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
5HMG
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BU of 5hmg by Molmil
REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Weis, W.I, Bruenger, A.T, Skehel, J.J, Wiley, D.C.
Deposit date:1989-09-11
Release date:1991-01-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Refinement of the influenza virus hemagglutinin by simulated annealing.
J.Mol.Biol., 212, 1990
4HMG
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BU of 4hmg by Molmil
REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, CHAIN HA1, ...
Authors:Weis, W.I, Bruenger, A.T, Skehel, J.J, Wiley, D.C.
Deposit date:1989-09-11
Release date:1991-01-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Refinement of the influenza virus hemagglutinin by simulated annealing.
J.Mol.Biol., 212, 1990
3HMG
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BU of 3hmg by Molmil
REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Weis, W.I, Bruenger, A.T, Skehel, J.J, Wiley, D.C.
Deposit date:1989-09-11
Release date:1991-01-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Refinement of the influenza virus hemagglutinin by simulated annealing.
J.Mol.Biol., 212, 1990
1HTM
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BU of 1htm by Molmil
STRUCTURE OF INFLUENZA HAEMAGGLUTININ AT THE PH OF MEMBRANE FUSION
Descriptor: HEMAGGLUTININ HA1 CHAIN, HEMAGGLUTININ HA2 CHAIN
Authors:Bullough, P.A, Hughson, F.M, Skehel, J.J, Wiley, D.C.
Deposit date:1994-11-02
Release date:1995-02-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of influenza haemagglutinin at the pH of membrane fusion.
Nature, 371, 1994
2HMG
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BU of 2hmg by Molmil
REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ (HA1 CHAIN), HEMAGGLUTININ (HA2 CHAIN), ...
Authors:Weis, W.I, Bruenger, A.T, Skehel, J.J, Wiley, D.C.
Deposit date:1989-09-11
Release date:1991-01-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Refinement of the influenza virus hemagglutinin by simulated annealing.
J.Mol.Biol., 212, 1990
5JLG
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BU of 5jlg by Molmil
The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and compound I, a piano-stool organometallic Ru(II) arene compound containing an O,S-chelating ligand
Descriptor: DIMETHYL SULFOXIDE, RUTHENIUM ION, Ribonuclease pancreatic, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2016-04-27
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Unusual mode of protein binding by a cytotoxic pi-arene ruthenium(ii) piano-stool compound containing an O,S-chelating ligand.
Dalton Trans, 45, 2016
4V9I
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BU of 4v9i by Molmil
Crystal structure of thermus thermophilus 70S in complex with tRNAs and mRNA containing a pseudouridine in a stop codon
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S Ribosomal protein S10, ...
Authors:Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
Deposit date:2013-04-04
Release date:2014-07-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
6XDB
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BU of 6xdb by Molmil
Crystal structure of IRE1a in complex with G-6904
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Wallweber, H.A, Weiru, W.
Deposit date:2020-06-10
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
1ONI
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BU of 1oni by Molmil
Crystal structure of a human p14.5, a translational inhibitor reveals different mode of ligand binding near the invariant residues of the Yjgf/UK114 protein family
Descriptor: 14.5 kDa translational inhibitor protein, BENZOIC ACID
Authors:Manjasetty, B.A, Delbrueck, H, Mueller, U, Erdmann, M.F, Heinemann, U.
Deposit date:2003-02-28
Release date:2003-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Homo sapiens protein hp14.5.
Proteins, 54, 2004

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