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8A3H
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BU of 8a3h by Molmil
Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution
Descriptor: (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ...
Authors:Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J.
Deposit date:1999-01-20
Release date:2000-01-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
J.Am.Chem.Soc., 121, 1999
6YP6
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BU of 6yp6 by Molmil
Structural annotation of the conserved carbohydrate esterase vb_24B_21 from Shiga toxin-encoding bacteriophage phi24B
Descriptor: GLYCEROL, NanS-p
Authors:Mayans, O, Franke, B.
Deposit date:2020-04-15
Release date:2020-09-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structural annotation of the conserved carbohydrate esterase vb_24B_21 from Shiga toxin-encoding bacteriophage Phi 24 B .
J.Struct.Biol., 212, 2020
1ZLB
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BU of 1zlb by Molmil
Crystal structure of catalytically-active phospholipase A2 in the absence of calcium
Descriptor: hypotensive phospholipase A2
Authors:Murakami, M.T, Cintra, A.C, Gabdoulkhakov, A, Genov, N, Betzel, C, Arni, R.K.
Deposit date:2005-05-05
Release date:2006-04-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Insights into metal ion binding in phospholipases A(2): ultra high-resolution crystal structures of an acidic phospholipase A(2) in the Ca(2+) free and bound states.
Biochimie, 88, 2006
4R15
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BU of 4r15 by Molmil
High-resolution crystal structure of Z-DNA in complex with Cr3+ cations
Descriptor: CHROMIUM ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Drozdzal, P, Gilski, M, Kierzek, R, Lomozik, L, Jaskolski, M.
Deposit date:2014-08-04
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:High-resolution crystal structure of Z-DNA in complex with Cr(3+) cations.
J.Biol.Inorg.Chem., 20, 2015
6XUM
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BU of 6xum by Molmil
Human Aldose Reductase Mutant L300/301A 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:2020-01-20
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
7SPX
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BU of 7spx by Molmil
Crystal structure of photoactive yellow protein (PYP); F28oCNF construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Weaver, J.B, Kirsh, J.M, Boxer, S.G.
Deposit date:2021-11-03
Release date:2022-05-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
6F81
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BU of 6f81 by Molmil
AKR1B1 at 0.75 MGy radiation dose.
Descriptor: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Castellvi, A, Juanhuix, J.
Deposit date:2017-12-12
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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
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
4MJ9
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BU of 4mj9 by Molmil
lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer
Descriptor: (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, CHLORIDE ION, ...
Authors:Hall, J.P, Cardin, C.J.
Deposit date:2013-09-03
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru dppz Complexes to DNA
Organometallics, 2015
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
5SP2
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BU of 5sp2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000579359572 - (R) and (S) isomers
Descriptor: Non-structural protein 3, [(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid, [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2BF6
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BU of 2bf6 by Molmil
Atomic Resolution Structure of the bacterial sialidase NanI from Clostridium perfringens in complex with alpha-Sialic Acid (Neu5Ac).
Descriptor: CALCIUM ION, EXO-ALPHA-SIALIDASE, GLYCEROL, ...
Authors:Newstead, S, Taylor, G.L.
Deposit date:2004-12-04
Release date:2006-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
J.Biol.Chem., 283, 2008
3DW4
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BU of 3dw4 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-OCH3 modified
Descriptor: GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA
Authors:Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-07-21
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
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
4E0K
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BU of 4e0k by Molmil
Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63)
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Amyloidogenic peptide segment KDWSFY, SODIUM ION
Authors:Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D.
Deposit date:2012-03-04
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
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
485D
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BU of 485d by Molmil
A SULFATE POCKET FORMED BY THREE GOU PAIRS IN THE STRUCTURE OF A NONAMERIC RNA
Descriptor: RNA/DNA(5'-R(*CP*GP*UP*GP*AP*UP*CP*GP)-D(*C)-3'), SULFATE ION
Authors:Masquida, B, Sauter, C, Westhof, E.
Deposit date:1999-08-13
Release date:1999-12-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:A sulfate pocket formed by three GoU pairs in the 0.97 A resolution X-ray structure of a nonameric RNA.
RNA, 5, 1999
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
4KXV
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BU of 4kxv by Molmil
Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, D-XYLITOL-5-PHOSPHATE, ...
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
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
1F94
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BU of 1f94 by Molmil
THE 0.97 RESOLUTION STRUCTURE OF BUCANDIN, A NOVEL TOXIN ISOLATED FROM THE MALAYAN KRAIT
Descriptor: BUCANDIN
Authors:Kuhn, P, Deacon, A.M, Comoso, S, Rajaseger, G, Kini, R.M, Uson, I, Kolatkar, P.R.
Deposit date:2000-07-06
Release date:2000-07-26
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The atomic resolution structure of bucandin, a novel toxin isolated from the Malayan krait, determined by direct methods.
Acta Crystallogr.,Sect.D, 56, 2000
7RWG
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BU of 7rwg by Molmil
"Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192
Descriptor: (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Jin, L, Padyana, A.K.
Deposit date:2021-08-19
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
6JJ1
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BU of 6jj1 by Molmil
Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.97 A resolution with disordered five N-terminal residues
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-tRNA hydrolase
Authors:Iqbal, N, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P.
Deposit date:2019-02-24
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.97 A resolution with disordered five N-terminal residues
To Be Published

222415

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