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3HXV
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BU of 3hxv by Molmil
Crystal Structure of catalytic fragment of E. coli AlaRS in complex with GlySA
Descriptor: 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ...
Authors:Guo, M, Yang, X.-L, Schimmel, P.
Deposit date:2009-06-22
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
8ANO
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BU of 8ano by Molmil
Fucosylated mixed-chirality linear peptide FHP8 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.3 Angstrom resolution.
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
Authors:Personne, H, Stocker, A, Reymond, J.-L.
Deposit date:2022-08-05
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:To Fold or Not to Fold: Diastereomeric Optimization of an alpha-Helical Antimicrobial Peptide.
J.Med.Chem., 66, 2023
8AOO
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BU of 8aoo by Molmil
Fucosylated mixed-chirality linear peptide FHP31 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.2 Angstrom resolution.
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
Authors:Personne, H, Stocker, A, Reymond, J.-L.
Deposit date:2022-08-08
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:To Fold or Not to Fold: Diastereomeric Optimization of an alpha-Helical Antimicrobial Peptide.
J.Med.Chem., 66, 2023
8ANR
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BU of 8anr by Molmil
Fucosylated alternate chirality linear peptide FHP30 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.6 Angstrom resolution.
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
Authors:Personne, H, Stocker, A, Reymond, J.-L.
Deposit date:2022-08-05
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:To Fold or Not to Fold: Diastereomeric Optimization of an alpha-Helical Antimicrobial Peptide.
J.Med.Chem., 66, 2023
8AN9
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BU of 8an9 by Molmil
Fucosylated mixed-chirality linear peptide FHP5 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.3 Angstrom resolution.
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
Authors:Personne, H, Stocker, A, Reymond, J.-L.
Deposit date:2022-08-04
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.273 Å)
Cite:To Fold or Not to Fold: Diastereomeric Optimization of an alpha-Helical Antimicrobial Peptide.
J.Med.Chem., 66, 2023
1R7R
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BU of 1r7r by Molmil
The crystal structure of murine p97/VCP at 3.6A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Huyton, T, Pye, V.E, Briggs, L.C, Flynn, T.C, Beuron, F, Kondo, H, Ma, J, Zhang, X, Freemont, P.S.
Deposit date:2003-10-22
Release date:2003-12-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The crystal structure of murine p97/VCP at 3.6A
J.Struct.Biol., 144, 2003
2ROQ
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BU of 2roq by Molmil
Solution Structure of the thiolation-thioesterase di-domain of enterobactin synthetase component F
Descriptor: Enterobactin synthetase component F
Authors:Frueh, D.P, Arthanari, H, Koglin, A, Vosburg, D.A, Bennett, A.E, Walsh, C.T, Wagner, G.
Deposit date:2008-04-05
Release date:2008-08-12
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Dynamic thiolation-thioesterase structure of a non-ribosomal peptide synthetase
Nature, 454, 2008
3GYX
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BU of 3gyx by Molmil
Crystal structure of adenylylsulfate reductase from Desulfovibrio gigas
Descriptor: Adenylylsulfate Reductase, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER
Authors:Chiang, Y.-L, Hsieh, Y.-C, Liu, E.-H, Liu, M.-Y, Chen, C.-J.
Deposit date:2009-04-06
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of Adenylylsulfate reductase from Desulfovibrio gigas suggests a potential self-regulation mechanism involving the C terminus of the beta-subunit
J.Bacteriol., 191, 2009
6R8B
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BU of 6r8b by Molmil
Escherichia coli AGPase in complex with FBP.
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase
Authors:Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
Deposit date:2019-04-01
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM
Biorxiv, 2020
6X94
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BU of 6x94 by Molmil
An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Zambaldo, C, Koh, M, Nasertorabi, F, Han, G.W, Chatterjee, A, Stevens, R.C, Schultz, P.G.
Deposit date:2020-06-02
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli.
Bioorg.Med.Chem., 28, 2020
4C5L
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BU of 4c5l by Molmil
Structure of the pyridoxal kinase from Staphylococcus aureus in complex with pyridoxal
Descriptor: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol, PHOSPHOMETHYLPYRIMIDINE KINASE, ...
Authors:Nodwell, M, Alte, F, Sieber, S.A, Schneider, S.
Deposit date:2013-09-12
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
8BOT
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BU of 8bot by Molmil
Cryo-EM structure of NHEJ supercomplex(trimer)
Descriptor: DNA (24-MER), DNA (27-MER), DNA (28-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-11-15
Release date:2023-06-28
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (7.76 Å)
Cite:Cryo-EM structure of a DNA-PK trimer: higher order oligomerisation in NHEJ.
Structure, 31, 2023
8B40
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BU of 8b40 by Molmil
Structure of homomeric LRRC8C Volume-Regulated Anion Channel
Descriptor: Volume-regulated anion channel subunit LRRC8C
Authors:Sawicka, M, Dutzler, R.
Deposit date:2022-09-19
Release date:2022-12-14
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of a volume-regulated heteromeric LRRC8A/C channel.
Nat.Struct.Mol.Biol., 30, 2023
4A0W
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BU of 4a0w by Molmil
model built against symmetry-free cryo-EM map of TRiC-ADP-AlFx
Descriptor: T-COMPLEX PROTEIN 1 SUBUNIT BETA
Authors:Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W.
Deposit date:2011-09-13
Release date:2012-02-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (13.9 Å)
Cite:Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
4A91
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BU of 4a91 by Molmil
Crystal structure of the glutamyl-queuosine tRNAAsp synthetase from E. coli complexed with L-glutamate
Descriptor: GLUTAMIC ACID, GLUTAMYL-Q TRNA(ASP) SYNTHETASE, ZINC ION
Authors:Blaise, M, Olieric, V, Sauter, C, Lorber, B, Roy, B, Karmakar, S, Banerjee, R, Becker, H.D, Kern, D.
Deposit date:2011-11-22
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Glutamyl-Queuosine Trnaasp Synthetase Complexed with L-Glutamate: Structural Elements Mediating tRNA-Independent Activation of Glutamate and Glutamylation of Trnaasp Anticodon.
J.Mol.Biol., 381, 2008
6Y14
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BU of 6y14 by Molmil
Bicyclic peptide bp65 crystallized as racemic mixture at 0.9 Angstrom resolution
Descriptor: CITRIC ACID, bp65
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2020-02-11
Release date:2021-02-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
6Y13
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BU of 6y13 by Molmil
Bicyclic stapled peptide bp70 at 1.1 Angstrom resolution
Descriptor: bp70
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2020-02-11
Release date:2021-02-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.112 Å)
Cite:A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
6Y1S
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BU of 6y1s by Molmil
Bicyclic peptide bp70 in I4132 at 1.0 Angstrom resolution
Descriptor: bp70
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2020-02-13
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
6Y0U
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BU of 6y0u by Molmil
Fucosylated Bicyclic peptide bp71 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.5 Angstrom resolution
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2020-02-10
Release date:2021-02-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
6Y0V
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BU of 6y0v by Molmil
Fucosylated bicyclic peptide bp71 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.7 Angstrom resolution
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2020-02-10
Release date:2021-02-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
7YQ0
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BU of 7yq0 by Molmil
Crystal structure of adenosine 5'-phosphosulfate kinase from Archaeoglobus fulgidus in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylyl-sulfate kinase, GLYCEROL, ...
Authors:Kawakami, T, Teramoto, T, Kakuta, Y.
Deposit date:2022-08-05
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of adenosine 5'-phosphosulfate kinase isolated from Archaeoglobus fulgidus.
Biochem.Biophys.Res.Commun., 643, 2022
4C5J
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BU of 4c5j by Molmil
Structure of the pyridoxal kinase from Staphylococcus aureus
Descriptor: PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION
Authors:Nodwell, M, Alte, F, Sieber, S.A, Schneider, S.
Deposit date:2013-09-12
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
8BHV
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BU of 8bhv by Molmil
DNA-PK XLF mediated dimer bound to PAXX
Descriptor: DNA (24-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-11-01
Release date:2023-06-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.51 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8BHY
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BU of 8bhy by Molmil
DNA-PK Ku80 mediated dimer bound to PAXX and XLF
Descriptor: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-11-01
Release date:2023-06-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (5.33 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
7ZUK
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BU of 7zuk by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6
Descriptor: 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
Deposit date:2022-05-12
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022

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