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8X1D
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Crystal structure of GH11 from Thermoanaerobacterium saccharolyticum (pH8.5)
Descriptor: ACETATE ION, Endo-1,4-beta-xylanase
Authors:Nam, K.H.
Deposit date:2023-11-07
Release date:2023-11-22
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Data of serial synchrotron crystallography of xylanase GH11 from Thermoanaerobacterium saccharolyticum.
Data Brief, 52, 2024
8Q3C
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BU of 8q3c by Molmil
Structure of Selenomonas ruminantium lactate dehydrogenase I85R mutant
Descriptor: CHLORIDE ION, L-lactate dehydrogenase, NITRATE ION, ...
Authors:Bertrand, Q, Coquille, S, Iorio, A, Sterpone, F, Madern, D.
Deposit date:2023-08-03
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
J.Struct.Biol., 215, 2023
7B4R
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BU of 7b4r by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
Descriptor: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ...
Authors:Maveyraud, L, Carivenc, C, Blanger, C, Mourey, L.
Deposit date:2020-12-02
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
8W7F
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BU of 8w7f by Molmil
Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase bound with FAD and a sulfate ion
Descriptor: DODECYL-BETA-D-MALTOSIDE, FI05204p, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yang, J, Chen, X, Jin, S, Ding, J.
Deposit date:2023-08-30
Release date:2023-11-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria.
J.Biol.Chem., 300, 2023
7B4S
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BU of 7b4s by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and compound 153786 from the NCI Open Database
Descriptor: 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione, COENZYME A, MANGANESE (II) ION, ...
Authors:Maveyraud, L, Carivenc, C, Mourey, L.
Deposit date:2020-12-02
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
8Q2E
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BU of 8q2e by Molmil
The 1.68-A X-ray crystal structure of Sporosarcina pasteurii urease inhibited by thiram and bound to dimethylditiocarbamate
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2023-08-02
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Kinetic and structural details of urease inactivation by thiuram disulphides.
J.Inorg.Biochem., 250, 2023
7NUU
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BU of 7nuu by Molmil
Crystal structure of human AMDHD2 in complex with Zn
Descriptor: GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ZINC ION
Authors:Ruegenberg, S, Kroef, V, Baumann, U, Denzel, M.S.
Deposit date:2021-03-14
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.836 Å)
Cite:GFPT2/GFAT2 and AMDHD2 act in tandem to control the hexosamine pathway.
Elife, 11, 2022
7NUT
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BU of 7nut by Molmil
Crystal structure of human AMDHD2 in complex with Zn and GlcN6P
Descriptor: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, N-acetylglucosamine-6-phosphate deacetylase, ZINC ION
Authors:Ruegenberg, S, Kroef, V, Baumann, U, Denzel, M.S.
Deposit date:2021-03-14
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:GFPT2/GFAT2 and AMDHD2 act in tandem to control the hexosamine pathway.
Elife, 11, 2022
4XFA
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BU of 4xfa by Molmil
cysteine dioxygenase variant - Y157F at pH 8.0 in complex with homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of Mammalian Cysteine Dioxygenase Variants Missing the Cys-Tyr Crosslink
To Be Published
4XFI
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BU of 4xfi by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 with homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
7O81
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BU of 7o81 by Molmil
Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Bhatt, P.R, Scaiola, A, Leibundgut, M.A, Atkins, J.F, Ban, N.
Deposit date:2021-04-14
Release date:2021-06-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome.
Science, 372, 2021
4XJA
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BU of 4xja by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Brear, P.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
7O7Y
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BU of 7o7y by Molmil
Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Bhatt, P.R, Scaiola, A, Leibundgut, M.A, Atkins, J.F, Ban, N.
Deposit date:2021-04-14
Release date:2021-06-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome.
Science, 372, 2021
7O80
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BU of 7o80 by Molmil
Rabbit 80S ribosome in complex with eRF1 and ABCE1 stalled at the STOP codon in the mutated SARS-CoV-2 slippery site
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Bhatt, P.R, Scaiola, A, Leibundgut, M.A, Atkins, J.F, Ban, N.
Deposit date:2021-04-14
Release date:2021-06-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome.
Science, 372, 2021
4XQW
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BU of 4xqw by Molmil
X-ray structure analysis of xylanase-N44E with MES at pH6.0
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XS3
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BU of 4xs3 by Molmil
Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Descriptor: (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
Deposit date:2015-01-21
Release date:2016-07-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
8W7P
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BU of 8w7p by Molmil
Extracellular domain of a sensor histidine kinase
Descriptor: Extracellular domain of a sensor histidine kinase NagS, GLYCEROL
Authors:Itoh, T, Ogawa, T, Hibi, T, Kimoto, H.
Deposit date:2023-08-31
Release date:2024-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of the extracellular domain of sensor histidine kinase NagS from Paenibacillus sp. str. FPU-7: nagS interacts with oligosaccharide binding protein NagB1 in complexes with N, N'-diacetylchitobiose.
Biosci.Biotechnol.Biochem., 88, 2024
8VJ3
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BU of 8vj3 by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (FAD bound)
Descriptor: Betaine aldehyde dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-05
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (FAD bound)
To be published
8X2L
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BU of 8x2l by Molmil
Structure of human phagocyte NADPH oxidase in the resting state in the presence of 2 mM NADPH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7D5 Fab heavy chain, 7D5 Fab light chain, ...
Authors:Chen, L, Liu, X.
Deposit date:2023-11-09
Release date:2024-01-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structure of human phagocyte NADPH oxidase in the activated state.
Nature, 627, 2024
4XAF
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BU of 4xaf by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R1, ...
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-14
Release date:2015-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
8QQS
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BU of 8qqs by Molmil
E. coli DNA gyrase bound to a linear part of a DNA minicircle
Descriptor: DNA (30-MER), DNA gyrase subunit A, DNA gyrase subunit B
Authors:Vayssieres, M, Lamour, V.
Deposit date:2023-10-06
Release date:2024-04-10
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of DNA crossover capture by Escherichia coli DNA gyrase.
Science, 384, 2024
4XUQ
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BU of 4xuq by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotriose
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-xylopyranose, ...
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
1KTL
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BU of 1ktl by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ...
Authors:Holmes, M.A, Strong, R.K.
Deposit date:2002-01-16
Release date:2003-02-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
4XWR
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BU of 4xwr by Molmil
X-ray structure of perdeuterated Cholesterol Oxidase from Streptomyces SA-COO
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Golden, E, Vrielink, A.
Deposit date:2015-01-29
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Production and characterization of recombinant perdeuterated cholesterol oxidase.
Anal.Biochem., 485, 2015
4XX6
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BU of 4xx6 by Molmil
Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Stogios, P.J, Nocek, B, Xu, X, Cui, H, Lowden, M, Savchenko, A.
Deposit date:2015-01-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum.
To Be Published

222415

PDB entries from 2024-07-10

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