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8B97
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BU of 8b97 by Molmil
N-terminal beta-trefoil lectin domain of the Laccaria bicolor lectin in complex with N-acetyl-lactosamine
Descriptor: Beta-trefoil domain of the LBL lectin, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M.
Deposit date:2022-10-05
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor.
Int.J.Biol.Macromol., 233, 2023
6RII
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BU of 6rii by Molmil
Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by fluoride anions at sub-atomic resolution. Fourth structure of the series with 1200 KGy dose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, FLUORIDE ION, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2019-04-24
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
1ZUU
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BU of 1zuu by Molmil
Crystal structure of the yeast Bzz1 first SH3 domain at 0.97-A resolution
Descriptor: BZZ1 protein, MAGNESIUM ION, UNKNOWN ATOM OR ION
Authors:Kursula, P, Kursula, I, Lehmann, F, Zou, P, Song, Y.H, Wilmanns, M.
Deposit date:2005-06-01
Release date:2006-09-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structural genomics of yeast SH3 domains
To be Published
1C75
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BU of 1c75 by Molmil
0.97 A "AB INITIO" CRYSTAL STRUCTURE OF CYTOCHROME C-553 FROM BACILLUS PASTEURII
Descriptor: CYTOCHROME C-553, HEME C
Authors:Benini, S, Ciurli, S, Rypniewski, W.R, Wilson, K.S.
Deposit date:2000-02-09
Release date:2000-03-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
5A8C
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BU of 5a8c by Molmil
The ultra high resolution structure of a novel alpha-L-arabinofuranosidase (CtGH43) from Clostridium thermocellum ATCC 27405 with bound trimethyl N-Oxide (TRS)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6
Authors:Goyal, A, Ahmed, S, Sharma, K, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2015-07-14
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Molecular determinants of substrate specificity revealed by the structure of Clostridium thermocellum arabinofuranosidase 43A from glycosyl hydrolase family 43 subfamily 16.
Acta Crystallogr D Struct Biol, 72, 2016
6RHH
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BU of 6rhh by Molmil
Single crystal serial study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi at sub-atomic resolution. Third structure of the series with 315 KGy dose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase 2, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2019-04-20
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
5XU2
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BU of 5xu2 by Molmil
Crystal Structure of Transketolase in complex with TPP_III and fructose-6-phosphate from Pichia Stipitis
Descriptor: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-22
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
6X7J
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BU of 6x7j by Molmil
fucose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein, CALCIUM ION, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-05-30
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
7WPW
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BU of 7wpw by Molmil
The 0.97 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pentadecanoic acid
Descriptor: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
Deposit date:2022-01-24
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The 0.97 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pentadecanoic acid
To Be Published
1VL9
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BU of 1vl9 by Molmil
Atomic resolution (0.97A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
Authors:Sekar, K, Velmurugan, D, Rajakannan, V, Gayathri, D, Poi, M.-J, Tsai, M.-D, Dauter, M, Dauter, Z.
Deposit date:2004-07-15
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.F, 61, 2005
8B5M
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BU of 8b5m by Molmil
Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor
Descriptor: (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ...
Authors:Males, A, Davies, G.J.
Deposit date:2022-09-23
Release date:2023-10-04
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:GH47 and Cyclosulfamidate
To Be Published
8BJL
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BU of 8bjl by Molmil
Human Aldose Reductase in Complex with a Ligand with a Fluoro-Indol-Acetic-Acid Structure (Schl44172)
Descriptor: 2-(6-fluoranylindol-1-yl)ethanoic acid, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Hubert, L.-S, Heine, A, Klebe, G.
Deposit date:2022-11-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Human Aldose Reductase in Complex with a Ligand with a Fluoro-Indol-Acetic-Acid Structure (Schl44172)
To Be Published
4ACJ
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BU of 4acj by Molmil
Crystal structure of the TLDC domain of Oxidation resistance protein 2 from zebrafish
Descriptor: WU:FB25H12 PROTEIN,
Authors:Blaise, M, B Alsarraf, H.M.A, Wong, J.E.M.M, Midtgaard, S.R, Laroche, F, Schack, L, Spaink, H, Stougaard, J, Thirup, S.
Deposit date:2011-12-15
Release date:2012-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal Structure of the Tldc Domain of Oxidation Resistance Protein 2 from Zebrafish.
Proteins, 80, 2012
7A2Y
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BU of 7a2y by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 4.0
Descriptor: Tyrosine-protein kinase Fyn, VSL12
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 4.0
To be published
6UN2
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BU of 6un2 by Molmil
Crystal structure of photoactive yellow protein (PYP); C69U construct (selenocysteine incorporation)
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Lin, C.-Y, Romei, M.G, Boxer, S.G.
Deposit date:2019-10-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms.
J Photochem Photobiol A Chem, 401, 2020
5TIF
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BU of 5tif by Molmil
x-ray structure of acyl-CoA thioesterase I, TesA, triple mutant M141L/Y145K/L146K in complex with octanoic acid
Descriptor: Acyl-CoA thioesterase I, DI(HYDROXYETHYL)ETHER, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D.
Deposit date:2016-10-02
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
5XSM
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BU of 5xsm by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis
Descriptor: 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-14
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
4KXW
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BU of 4kxw by Molmil
Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 2
Descriptor: 1,2-ETHANEDIOL, D-XYLITOL-5-PHOSPHATE, MAGNESIUM ION, ...
Authors:Neumann, P, Luedtke, S, Ficner, R, Tittmann, K.
Deposit date:2013-05-28
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
6HMQ
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BU of 6hmq by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
Authors:Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
4LFS
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BU of 4lfs by Molmil
High resolution x-ray structure of racemic ShK toxin
Descriptor: CHLORIDE ION, GLYCEROL, Potassium channel toxin ShK
Authors:Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
6T3P
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BU of 6t3p by Molmil
Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
Deposit date:2019-10-11
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
2XFR
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BU of 2xfr by Molmil
Crystal structure of barley beta-amylase at atomic resolution
Descriptor: 1,2-ETHANEDIOL, BETA-AMYLASE
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-05-28
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
5JEU
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BU of 5jeu by Molmil
del-[Ru(phen)2(dppz)]2+ bound to d(TCGGCGCCGA) with Ba2+
Descriptor: BARIUM ION, CHLORIDE ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), ...
Authors:Hall, J.P, Cardin, C.J.
Deposit date:2016-04-19
Release date:2016-09-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Delta chirality ruthenium 'light-switch' complexes can bind in the minor groove of DNA with five different binding modes.
Nucleic Acids Res., 44, 2016
6YIW
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BU of 6yiw by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1H-isoindol-3-amine, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-04-01
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
7TH6
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BU of 7th6 by Molmil
Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B21
Descriptor: 4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
Deposit date:2022-01-10
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022

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