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7ZUX
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BU of 7zux by Molmil
Collided ribosome in a disome unit from S. cerevisiae
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R.
Deposit date:2022-05-13
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
7ZS5
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BU of 7zs5 by Molmil
Structure of 60S ribosomal subunit from S. cerevisiae with eIF6 and tRNA
Descriptor: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R.
Deposit date:2022-05-06
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
8A58
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BU of 8a58 by Molmil
X-ray structure of TRIM21 RING E3 ligase in complex with E2 enzyme Ube2W
Descriptor: E3 ubiquitin-protein ligase TRIM21, Ubiquitin-conjugating enzyme E2 W, ZINC ION
Authors:James, L.C, Kiss, L.
Deposit date:2022-06-14
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Trim-Away ubiquitinates and degrades lysine-less and N-terminally acetylated substrates.
Nat Commun, 14, 2023
8B23
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BU of 8b23 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 600-seconds post reaction initiation with Na+
Descriptor: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
Authors:Strauss, J, Vidilaseris, K, Goldman, A.
Deposit date:2022-09-12
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B22
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BU of 8b22 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 300-seconds post reaction initiation with Na+
Descriptor: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
Authors:Strauss, J, Vidilaseris, K, Goldman, A.
Deposit date:2022-09-12
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B21
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BU of 8b21 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 0-60-seconds post reaction initiation with Na+
Descriptor: DI(HYDROXYETHYL)ETHER, DODECYL-BETA-D-MALTOSIDE, K(+)-stimulated pyrophosphate-energized sodium pump, ...
Authors:Strauss, J, Vidilaseris, K, Goldman, A.
Deposit date:2022-09-12
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B24
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BU of 8b24 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 3600-seconds post reaction initiation with Na+
Descriptor: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, ...
Authors:Strauss, J, Vidilaseris, K, Goldman, A.
Deposit date:2022-09-12
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (4.53 Å)
Cite:Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B1V
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BU of 8b1v by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga
Descriptor: Dihydroprecondylocarpine acetate synthase 2, ZINC ION, precondylocarpine acetate
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-12
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8AKM
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BU of 8akm by Molmil
Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q)
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AKL
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BU of 8akl by Molmil
Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q)
Descriptor: (2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AKJ
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BU of 8akj by Molmil
Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q)
Descriptor: 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8B0F
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BU of 8b0f by Molmil
CryoEM structure of C5b8-CD59
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Bubeck, D, Couves, E.C, Gardner, S.
Deposit date:2022-09-07
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
8AKK
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BU of 8akk by Molmil
Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q)
Descriptor: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8B8H
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BU of 8b8h by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS
Descriptor: (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ...
Authors:de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
Deposit date:2022-10-04
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
8AHW
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BU of 8ahw by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL
Authors:de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
Deposit date:2022-07-22
Release date:2023-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
Descriptor: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8AZC
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BU of 8azc by Molmil
Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3
Authors:Sander, S, Tidow, H, Fliegert, R, Sandmann, M.
Deposit date:2022-09-05
Release date:2023-09-13
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
To Be Published
8B0W
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BU of 8b0w by Molmil
Galectin-1 in Complex with Ligand MG49
Descriptor: BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ...
Authors:Grimm, C, Mut, J, Seibel, J.
Deposit date:2022-09-08
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Galectin-1 in Complex with Ligand MG49
To Be Published
8AMS
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BU of 8ams by Molmil
Complex of human TRIM2 RING domain, UBCH5C, and Ubiquitin
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Polyubiquitin-C, ...
Authors:Perez-Borrajero, C, Kotova, I, Murciano, B, Hennig, J.
Deposit date:2022-08-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biophysical studies of TRIM2 and TRIM3
To Be Published
8BHD
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BU of 8bhd by Molmil
N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure)
Descriptor: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ...
Authors:Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
8BRX
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BU of 8brx by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine
Descriptor: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ...
Authors:Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
Deposit date:2022-11-24
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
8C3O
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BU of 8c3o by Molmil
Crystal structure of autotaxin gamma and compound MEY-003
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2022-12-27
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C3P
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BU of 8c3p by Molmil
Crystal structure of autotaxin gamma in complex with LPA 18:1
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2022-12-28
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C4W
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BU of 8c4w by Molmil
Crystal structure of rat autotaxin and compound MEY-002
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2023-01-05
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023

219869

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