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6P90
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BU of 6p90 by Molmil
Crystal structure of PaDHDPS2-H56Q mutant
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, GLYCEROL
Authors:Impey, R.E, Panjikar, S, Hall, C.J, Bock, L.J, Sutton, J.M, Perugini, M.A, Soares da Costa, T.P.
Deposit date:2019-06-08
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of two dihydrodipicolinate synthase isoforms from Pseudomonas aeruginosa that differ in allosteric regulation.
Febs J., 287, 2020
6BD0
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BU of 6bd0 by Molmil
I-OnuI K227Y, D236A bound to cognate substrate (pre-cleavage complex)
Descriptor: CALCIUM ION, DNA (25-MER), Ribosomal protein 3/homing endonuclease-like protein fusion
Authors:Brown, C, Zhang, K, Laforet, M, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M.
Deposit date:2017-10-20
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:I-OnuI K227Y, D236A bound to cognate substrate (pre-cleavage complex)
To Be Published
6X6X
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BU of 6x6x by Molmil
Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
Descriptor: ADP-ribosyltransferase, DIMETHYL SULFOXIDE, N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea, ...
Authors:Pozharski, E.
Deposit date:2020-05-29
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
To Be Published
6P99
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BU of 6p99 by Molmil
OXA-48 carbapanemase, ertapenem complex
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
8RAF
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BU of 8raf by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I (holo form)
Descriptor: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE
Authors:Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y, Boyko, K.M.
Deposit date:2023-12-01
Release date:2023-12-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multifunctionality of arginine residues in the active sites of non-canonical d-amino acid transaminases.
Arch.Biochem.Biophys., 756, 2024
6FC2
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BU of 6fc2 by Molmil
Crystal structure of the eIF4E-Eap1p complex from Saccharomyces cerevisiae
Descriptor: CALCIUM ION, Eukaryotic translation initiation factor 4E, Protein EAP1
Authors:Gruener, S, Valkov, E.
Deposit date:2017-12-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural motifs in eIF4G and 4E-BPs modulate their binding to eIF4E to regulate translation initiation in yeast.
Nucleic Acids Res., 46, 2018
6X6V
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BU of 6x6v by Molmil
Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile in complex with NADPH
Descriptor: CdtA, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pozharski, E.
Deposit date:2020-05-29
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile in complex with NADPH
To Be Published
6IZ6
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BU of 6iz6 by Molmil
Crystal Structure Analysis of TRIC counter-ion channels in calcium release
Descriptor: CALCIUM ION, Trimeric intracellular cation channel type B-B
Authors:Liu, X.L, Wang, X.H, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.293 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6FCL
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BU of 6fcl by Molmil
Crystal Structure of Human APRT wild type in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase
Authors:Nioche, P, Huyet, J, Ozeir, M.
Deposit date:2017-12-20
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Insights into the Forward and Reverse Enzymatic Reactions in Human Adenine Phosphoribosyltransferase.
Cell Chem Biol, 25, 2018
6XP6
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BU of 6xp6 by Molmil
3C11-DQ2-glia-a2 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, 3.C11 IgH Fab, ...
Authors:Petersen, J, Rossjohn, J.
Deposit date:2020-07-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A high-affinity human TCR-like antibody detects celiac disease gluten peptide-MHC complexes and inhibits T cell activation.
Sci Immunol, 6, 2021
6IZF
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BU of 6izf by Molmil
Structural basis for activity of TRIC counter-ion channels in calcium release
Descriptor: (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, X.H, Zeng, Y, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-19
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6FCU
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BU of 6fcu by Molmil
The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with 4(NAG-NAMpentapeptide)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ACETATE ION, ALANINE, ...
Authors:Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A.
Deposit date:2017-12-21
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8QC5
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BU of 8qc5 by Molmil
crystal structure of NAD-dependent glycoside hydrolase from Arthrobacter sp. U41 in complex with NAD+ cofactor and citrate
Descriptor: CITRIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-25
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
7K7R
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BU of 7k7r by Molmil
EBNA1 peptide AA386-405 with Fab MS39p2w174
Descriptor: CHLORIDE ION, EBNA1 peptide AA386-405, Fab HC MS39p2w174, ...
Authors:Lanz, T.V, Robinson, W.H, Jude, K.M.
Deposit date:2020-09-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Clonally expanded B cells in multiple sclerosis bind EBV EBNA1 and GlialCAM.
Nature, 603, 2022
6XSP
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BU of 6xsp by Molmil
Crystal structure of E.coli DsbA in complex with 2-(2,6-bis(3-methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Wang, G, Heras, B.
Deposit date:2020-07-15
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
8QK8
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BU of 8qk8 by Molmil
Structure of Legionella pneumophila Lcl C-terminal domain bound to sulphate
Descriptor: HbP1, SULFATE ION
Authors:Rehman, S, Garnett, J.A.
Deposit date:2023-09-14
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Legionella collagen-like protein employs a unique binding mechanism for the recognition of host glycosaminoglycans.
Biorxiv, 2023
6PAL
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BU of 6pal by Molmil
Bacteroides uniformis endo-laminarinase BuGH158 from the beta(1,3)-glucan utilization locus
Descriptor: ACETATE ION, SULFATE ION, Uncharacterized protein
Authors:Tamura, K, Brumer, H, van Petegem, F.
Deposit date:2019-06-11
Release date:2020-04-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.818 Å)
Cite:Synergy between Cell Surface Glycosidases and Glycan-Binding Proteins Dictates the Utilization of Specific Beta(1,3)-Glucans by Human GutBacteroides.
Mbio, 11, 2020
6FD6
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BU of 6fd6 by Molmil
Crystal Structure of Human APRT-Tyr105Phe variant in complex with Adenine, PRPP and Mg2+, 30 days post crystallization (with AMP and PPi products fully generated)
Descriptor: ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Nioche, P, Huyet, J, Ozeir, M.
Deposit date:2017-12-21
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the Forward and Reverse Enzymatic Reactions in Human Adenine Phosphoribosyltransferase.
Cell Chem Biol, 25, 2018
7Q0L
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BU of 7q0l by Molmil
Crystal structure of the peptide transporter YePEPT-K314A at 2.93 A
Descriptor: Peptide transporter YePEPT
Authors:Jeckelmann, J.M, Stauffer, M, Ilgue, H, Boggavarapu, R, Fotiadis, D.
Deposit date:2021-10-15
Release date:2022-03-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor.
Commun Chem, 5, 2022
6XSQ
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BU of 6xsq by Molmil
Crystal structure of E.coli DsbA in complex with 2-(6-(3-methoxyphenyl)-2-(4-methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Wang, G, Heras, B.
Deposit date:2020-07-16
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
7PR3
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BU of 7pr3 by Molmil
Cocrystal Form I of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster
Descriptor: Cytochrome c iso-1, HEME C, PHOSPHATE ION, ...
Authors:Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
8QC6
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BU of 8qc6 by Molmil
Crystal Structure of NAD-dependent glycoside hydrolase from Arthrobacter sp. U41 in complex with NAD+ and sulfoquinovose (SQ)
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, sulfoquinovose
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-25
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
6FDG
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BU of 6fdg by Molmil
Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
Descriptor: 4-hydroxybenzoyl-CoA thioesterase
Authors:Murad, A.M, Betzel, C, Wrenger, C.
Deposit date:2017-12-22
Release date:2018-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
To Be Published
6PB3
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BU of 6pb3 by Molmil
Structure of Rhizobiales Trip13
Descriptor: Rhizobiales Sp. Pch2, SULFATE ION
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-06-12
Release date:2019-12-25
Last modified:2020-03-04
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
7Q0M
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BU of 7q0m by Molmil
Crystal structure of the peptide transporter YePEPT-K314A in complex with LZNV at 2.66 A
Descriptor: (2~{S})-2-[[(2~{S})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid, Peptide transporter YePEPT, UNDECYL-MALTOSIDE
Authors:Jeckelmann, J.M, Stauffer, M, Ilgue, H, Fotiadis, D.
Deposit date:2021-10-15
Release date:2022-03-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor.
Commun Chem, 5, 2022

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