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8QOK
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Capra hircus reactive intermediate deaminase A mutant - E124A
Descriptor: 2-iminobutanoate/2-iminopropanoate deaminase
Authors:Rizzi, G, Visentin, C, Ricagno, S.
Deposit date:2023-09-29
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Capra hircus reactive intermediate deaminase A mutant - E124A
To Be Published
8QOI
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Structure of the human 80S ribosome at 1.9 A resolution - the molecular role of chemical modifications and ions in RNA
Descriptor: 18S rRNA (1740-MER), 28S rRNA (3773-MER), 40S ribosomal protein S10, ...
Authors:Holvec, S, Barchet, C, Frechin, L, Hazemann, I, von Loeffelholz, O, Klaholz, B.P.
Deposit date:2023-09-29
Release date:2024-06-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:The structure of the human 80S ribosome at 1.9 angstrom resolution reveals the molecular role of chemical modifications and ions in RNA.
Nat.Struct.Mol.Biol., 2024
8QOH
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Crystal structure of the kinetoplastid kinetochore protein KKT14 C-terminal domain from Apiculatamorpha spiralis
Descriptor: kinetochore protein KKT14
Authors:Carter, W, Ballmer, D, Ishii, M, Ludzia, P, Akiyoshi, B.
Deposit date:2023-09-28
Release date:2024-01-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetoplastid kinetochore proteins KKT14-KKT15 are divergent Bub1/BubR1-Bub3 proteins.
Open Biology, 14, 2024
8QO5
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BU of 8qo5 by Molmil
Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes
Descriptor: SARS-CoV-2-SL5
Authors:Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M.
Deposit date:2023-09-28
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 52, 2024
8QO4
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Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes
Descriptor: MERS-CoV-SL5
Authors:Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M.
Deposit date:2023-09-28
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 52, 2024
8QO3
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Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes
Descriptor: RoBat-CoV-SL5
Authors:Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M.
Deposit date:2023-09-28
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 52, 2024
8QO2
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BU of 8qo2 by Molmil
Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes
Descriptor: OC43-CoV-SL5
Authors:Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M.
Deposit date:2023-09-27
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 52, 2024
8QNZ
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Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
Descriptor: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2023-09-27
Release date:2023-11-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Acs Cent.Sci., 9, 2023
8QNI
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Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
Descriptor: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNH
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Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
Descriptor: 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNG
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Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
Descriptor: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNF
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Crystal structure of the Condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase
Descriptor: Condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase, FORMIC ACID, GLYCEROL, ...
Authors:Karanth, M, Schmelz, S, Kirkpatrick, J, Krausze, J, Scrima, A, Carlomagno, T.
Deposit date:2023-09-26
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain.
Sci Adv, 10, 2024
8QNC
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Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: A113G variant
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Boverio, A, Mattevi, A.
Deposit date:2023-09-26
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: A113G variant
To Be Published
8QN5
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M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form)
Descriptor: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ...
Authors:Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M.
Deposit date:2023-09-25
Release date:2023-11-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
8QMY
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BU of 8qmy by Molmil
Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Boverio, A, Mattevi, A.
Deposit date:2023-09-25
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase
To Be Published
8QMX
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BU of 8qmx by Molmil
OPR3 wildtype in complex with NADPH4
Descriptor: 12-oxophytodienoate reductase 3, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN MONONUCLEOTIDE, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-25
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Loop 6 and the beta-hairpin flap are structural hotspots that determine cofactor specificity in the FMN-dependent family of ene-reductases.
Febs J., 291, 2024
8QMN
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[FeFe]-hydrogenase maturase HydE from T. maritima - dialysis experiment - empty structure
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y.
Deposit date:2023-09-23
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE.
Angew.Chem.Int.Ed.Engl., 62, 2023
8QMM
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BU of 8qmm by Molmil
M291I variant of the [FeFe]-hydrogenase maturase HydE from Thermotoga maritima
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y.
Deposit date:2023-09-23
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE.
Angew.Chem.Int.Ed.Engl., 62, 2023
8QML
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BU of 8qml by Molmil
(2R,4R)-MeTDA bound HydE structure (control experiment)
Descriptor: (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y.
Deposit date:2023-09-22
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE.
Angew.Chem.Int.Ed.Engl., 62, 2023
8QMK
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BU of 8qmk by Molmil
Enzymatically-produced complex-B bound TmHydE structure
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CHLORIDE ION, ...
Authors:Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y.
Deposit date:2023-09-22
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE.
Angew.Chem.Int.Ed.Engl., 62, 2023
8QMI
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Crystal structure of RNA G2C4 repeats - native model
Descriptor: MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3')
Authors:Blaszczyk, L, Kiliszek, A.
Deposit date:2023-09-22
Release date:2024-05-01
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 52, 2024
8QMH
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Crystal structure of RNA G2C4 repeats in complex with small synthetic molecule ANP77
Descriptor: 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide, CHLORIDE ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3')
Authors:Kiliszek, A, Ryczek, M, Blaszczyk, L.
Deposit date:2023-09-22
Release date:2024-05-01
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 52, 2024
8QME
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Structural characterization of beta-xyloxidase XynB2 from Geobacillus stearothermophilus CECT43
Descriptor: ACETATE ION, Beta-xylosidase, GLYCEROL, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2023-09-22
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Characterization of beta-Xylosidase XynB2 from Geobacillus stearothermophilus CECT43: A Member of the Glycoside Hydrolase Family GH52
Crystals, 14, 2024
8QM3
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formaldehyde-inhibited [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI)
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FORMYL GROUP, ...
Authors:Duan, J, Hofmann, E.
Deposit date:2023-09-21
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Insights into the Molecular Mechanism of Formaldehyde Inhibition of [FeFe]-Hydrogenases.
J.Am.Chem.Soc., 145, 2023
8QM1
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wild type Pa.FabF in complex cerulenin
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-09-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023

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