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5LRD
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BU of 5lrd by Molmil
Crystal structure of Glycogen Phosphorylase b in complex with KS242
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kantsadi, A.L, Leonidas, D.D.
Deposit date:2016-08-18
Release date:2017-06-14
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:van der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase.
J. Struct. Biol., 199, 2017
5LHS
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BU of 5lhs by Molmil
The ligand free catalytic domain of murine urokinase-type plasminogen activator
Descriptor: NICKEL (II) ION, SULFATE ION, Urokinase-type plasminogen activator
Authors:Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
Deposit date:2016-07-12
Release date:2017-06-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.047 Å)
Cite:Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
5LDJ
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BU of 5ldj by Molmil
Crystal structure of E.coli LigT complexed with phosphate
Descriptor: PHOSPHATE ION, RNA 2',3'-cyclic phosphodiesterase
Authors:Myllykoski, M, Kursula, P.
Deposit date:2016-06-27
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase.
PLoS ONE, 12, 2017
5LK6
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BU of 5lk6 by Molmil
Crystal structure of a lipase carboxylesterase from Sulfolobus islandicus
Descriptor: Alpha/beta hydrolase fold-3 domain protein, SULFATE ION
Authors:Schwarz-Linnet, T, Teilum, K, Olsen, J.G.
Deposit date:2016-07-21
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:EstA from Sufolobus islandicus is stabilized by mono-methylation of lysine residues
To Be Published
5LDK
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BU of 5ldk by Molmil
Crystal structure of E.coli LigT complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, RNA 2',3'-cyclic phosphodiesterase
Authors:Myllykoski, M, Kursula, P.
Deposit date:2016-06-27
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase.
PLoS ONE, 12, 2017
5LDP
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BU of 5ldp by Molmil
Crystal structure of E.coli LigT complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Myllykoski, M, Kursula, P.
Deposit date:2016-06-27
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase.
PLoS ONE, 12, 2017
7ZA4
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BU of 7za4 by Molmil
GSTF sh155 mutant
Descriptor: Glutathione transferase, SODIUM ION
Authors:Papageorgiou, A.C.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops.
Int J Mol Sci, 23, 2022
7ZF0
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BU of 7zf0 by Molmil
Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile
Descriptor: (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE, 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, ...
Authors:Putkaradze, N, Fredslund, F, Welner, D.H.
Deposit date:2022-03-31
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022
7ZER
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BU of 7zer by Molmil
Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP
Descriptor: 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Putkaradze, N, Fredslund, F, Welner, D.H.
Deposit date:2022-03-31
Release date:2022-07-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022
7Z1U
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BU of 7z1u by Molmil
Biochemical implications of the substitution of a unique cysteine residue in sugar beet phytoglobin BvPgb 1.2
Descriptor: Non-symbiotic hemoglobin class 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nyblom, M, Christensen, S, Leiva Eriksson, N, Bulow, L.
Deposit date:2022-02-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Oxidative Implications of Substituting a Conserved Cysteine Residue in Sugar Beet Phytoglobin BvPgb 1.2.
Antioxidants, 11, 2022
7Z2R
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BU of 7z2r by Molmil
Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics
Descriptor: Glutamate receptor ionotropic, delta-1, SULFATE ION
Authors:Masternak, M, Laulumaa, S, Kastrup, J.S.
Deposit date:2022-02-28
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics.
Febs J., 290, 2023
7MDH
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BU of 7mdh by Molmil
STRUCTURAL BASIS FOR LIGHT ACITVATION OF A CHLOROPLAST ENZYME. THE STRUCTURE OF SORGHUM NADP-MALATE DEHYDROGENASE IN ITS OXIDIZED FORM
Descriptor: PROTEIN (MALATE DEHYDROGENASE), ZINC ION
Authors:Johansson, K, Ramaswamy, S, Saarinen, M, Lemaire-Chamley, M, Issakidis-Bourguet, E, Miginiac-Maslow, M, Eklund, H.
Deposit date:1999-02-16
Release date:1999-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for light activation of a chloroplast enzyme: the structure of sorghum NADP-malate dehydrogenase in its oxidized form.
Biochemistry, 38, 1999
7Z6T
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BU of 7z6t by Molmil
Aspergillus clavatus M36 protease without the propeptide
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Extracellular metalloproteinase mep, ...
Authors:Wilkens, C, Qiu, J, Meyer, A.S, Morth, J.P.
Deposit date:2022-03-14
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Aspergillus clavatus M36 protease without the propeptide
To Be Published
7Z3Y
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BU of 7z3y by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545
Descriptor: 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, GLYCEROL, N-glycosylase/DNA lyase, ...
Authors:Scaletti, E.R, Stenmark, P.
Deposit date:2022-03-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545
To Be Published
3VPH
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BU of 3vph by Molmil
L-lactate dehydrogenase from Thermus caldophilus GK24 complexed with oxamate, NADH and FBP
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, L-lactate dehydrogenase, ...
Authors:Arai, K, Ohno, T, Miyanaga, A, Fushinobu, S, Taguchi, H.
Deposit date:2012-03-01
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The core of allosteric motion in Thermus caldophilus L-lactate dehydrogenase.
J.Biol.Chem., 2014
3VPG
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BU of 3vpg by Molmil
L-lactate dehydrogenase from Thermus caldophilus GK24
Descriptor: GLYCEROL, L-lactate dehydrogenase
Authors:Arai, K, Ohno, T, Miyanaga, A, Fushinobu, S, Taguchi, H.
Deposit date:2012-03-01
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The core of allosteric motion in Thermus caldophilus L-lactate dehydrogenase.
J.Biol.Chem., 2014
7NDV
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BU of 7ndv by Molmil
X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[4-(trifluoromethyl)phenoxy]piperidine, Acetylcholine-binding protein, ...
Authors:Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
Deposit date:2021-02-02
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor
RSC Advances, 11, 2021
7NPN
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BU of 7npn by Molmil
B-brick bare in 5 mM Mg2+
Descriptor: SCAFFOLD STRAND, STAPLE STRAND
Authors:Bertosin, E, Stoemmer, P, Feigl, E, Wenig, M, Honemann, M, Dietz, H.
Deposit date:2021-02-27
Release date:2021-03-31
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (10.38 Å)
Cite:Cryo-Electron Microscopy and Mass Analysis of Oligolysine-Coated DNA Nanostructures.
Acs Nano, 15, 2021
7NDP
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BU of 7ndp by Molmil
X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one, ...
Authors:Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
Deposit date:2021-02-02
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor.
Rsc Adv, 11, 2021
7NEO
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BU of 7neo by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15
Descriptor: 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Talibov, V.O.
Deposit date:2021-02-04
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7NBT
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BU of 7nbt by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21
Descriptor: 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Talibov, V.O.
Deposit date:2021-01-27
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7NM6
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BU of 7nm6 by Molmil
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with di-mannuronic acid
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alginate lyase (PL7), beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2021-02-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with di-mannuronic acid
To Be Published
7NL3
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BU of 7nl3 by Molmil
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alginate lyase (PL7)
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F
To Be Published
7NDE
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BU of 7nde by Molmil
Trichoderma parareesei PL7A beta-glucuronan lyase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucuronan lyase
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2021-02-01
Release date:2022-03-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Glucuronan lyases from family PL7 use a Tyr/Tyr syn beta-elimination catalytic mechanism for glucuronan breakdown.
Chem.Commun.(Camb.), 60, 2024
7NCZ
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BU of 7ncz by Molmil
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with hexa-mannuronic acid
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alginate lyase (PL7), beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2021-01-29
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with hexa-mannuronic acid
To Be Published

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