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7ZB1
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BU of 7zb1 by Molmil
S580A with 18mer
Descriptor: 1,2-ETHANEDIOL, 18mer, BICARBONATE ION, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2022-03-23
Release date:2022-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
6E7R
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BU of 6e7r by Molmil
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Regan, M.C, Furukawa, H.
Deposit date:2018-07-27
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural elements of a pH-sensitive inhibitor binding site in NMDA receptors
Nat Commun, 10, 2019
4MMD
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BU of 4mmd by Molmil
Crystal structure of LeuBAT (delta6 mutant) in complex with (S)-duloxetine
Descriptor: (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, SODIUM ION, Transporter, ...
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
1WP6
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BU of 1wp6 by Molmil
Crystal structure of maltohexaose-producing amylase from alkalophilic Bacillus sp.707.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Glucan 1,4-alpha-maltohexaosidase, ...
Authors:Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K.
Deposit date:2004-08-31
Release date:2004-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and crystallographic analyses of maltohexaose-producing amylase from alkalophilic Bacillus sp. 707
Biochemistry, 43, 2004
7Z05
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BU of 7z05 by Molmil
White Bream virus N7-Methyltransferase
Descriptor: DI(HYDROXYETHYL)ETHER, Non-structural protein 1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Shannon, A, Gauffre, P, Canard, B, Ferron, F.
Deposit date:2022-02-22
Release date:2022-09-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A second type of N7-guanine RNA cap methyltransferase in an unusual locus of a large RNA virus genome.
Nucleic Acids Res., 50, 2022
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
4MVS
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BU of 4mvs by Molmil
Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CADMIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-24
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
1TJP
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BU of 1tjp by Molmil
Crystal Structure Of Wild-Type Tryptophan Synthase Complexed With 1-[(2-hydroxylphenyl)amino]3-glycerolphosphate
Descriptor: 1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I.
Deposit date:2004-06-07
Release date:2005-12-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes.
J.Mol.Biol., 352, 2005
7YXE
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BU of 7yxe by Molmil
Crystal structure of YTHDF2 with compound ZA_143
Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ...
Authors:Nai, F, Zalesak, F, Li, Y, Caflisch, A.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z67
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BU of 7z67 by Molmil
Crystal structure of the tandem kinase & triphosphate tunnel metalloenzyme domain module of the TTM1 protein from Arabidoposis thaliana in complex with a adenosine nucleotide analog.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Inorganic pyrophosphatase TTM1, ...
Authors:Hothorn, M, Martinez, J.
Deposit date:2022-03-11
Release date:2022-03-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and biological insight into the plant unique multimodular triphosphosphate tunnel metalloenzymes of Arabidopsis thaliana
To Be Published
6GN7
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BU of 6gn7 by Molmil
X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of sodium ions.
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Troisi, R, Russo Krauss, I, Sica, F.
Deposit date:2018-05-30
Release date:2018-10-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer.
Nucleic Acids Res., 46, 2018
7Z0P
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BU of 7z0p by Molmil
SARS-COV2 Main Protease in complex with inhibitor MG-131
Descriptor: (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2022-02-23
Release date:2022-04-27
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
7Z0N
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BU of 7z0n by Molmil
Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators
Descriptor: CALCIUM ION, GLYCEROL, IODIDE ION, ...
Authors:Salgado-Polo, F, Clark, J.M, Macdonald, S.J.F, Barrett, T.N, Perrakis, A, Jamieson, A.
Deposit date:2022-02-23
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators.
J.Med.Chem., 65, 2022
1THM
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BU of 1thm by Molmil
CRYSTAL STRUCTURE OF THERMITASE AT 1.4 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, SODIUM ION, SULFATE ION, ...
Authors:Teplyakov, A.V, Kuranova, I.P, Harutyunyan, E.H.
Deposit date:1992-02-24
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of thermitase at 1.4 A resolution.
J.Mol.Biol., 214, 1990
4OSY
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BU of 4osy by Molmil
STRUCTURE of FULLY-CLEAVED GLYCINE-BOUND HUMAN L-ASPARAGINASE PROTEIN
Descriptor: GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
Authors:Nomme, J, Lavie, A.
Deposit date:2014-02-13
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Free glycine accelerates the autoproteolytic activation of human asparaginase.
Chem.Biol., 20, 2013
7YZN
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BU of 7yzn by Molmil
Structure of C-terminally truncated aIF5B from Pyrococcus abyssi complexed with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable translation initiation factor IF-2, ...
Authors:Bourgeois, G, Schmitt, E, Mechulam, Y, Coureux, P.D, Kazan, R.
Deposit date:2022-02-21
Release date:2022-06-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
7YNE
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BU of 7yne by Molmil
Crystal structure of fragmin domain-1 (1-160) in complex with G-form actin
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Takeda, S.
Deposit date:2022-07-30
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures and mechanisms of actin ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
4MVZ
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BU of 4mvz by Molmil
Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-24
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
4MTO
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BU of 4mto by Molmil
Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-19
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.402 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
7YNH
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BU of 7ynh by Molmil
Catalytic intermediate of copper amine oxidase determined by serial femtosecond X-ray crystallography using a single-flow liquid jet system
Descriptor: COPPER (II) ION, PHENYLACETALDEHYDE, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Okajima, T.
Deposit date:2022-07-31
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Serial femtosecond X-ray crystallography of an anaerobically formed catalytic intermediate of copper amine oxidase.
Acta Crystallogr D Struct Biol, 78, 2022
1UYP
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BU of 1uyp by Molmil
The three-dimensional structure of beta-fructosidase (invertase) from Thermotoga maritima
Descriptor: BETA-FRUCTOSIDASE, CITRIC ACID, GLYCEROL, ...
Authors:Alberto, F, Bignon, C, Sulzenbacher, G, Henrissat, B, Czjzek, M.
Deposit date:2004-03-02
Release date:2004-03-22
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The three-dimensional structure of invertase (beta-fructosidase) from Thermotoga maritima reveals a bimodular arrangement and an evolutionary relationship between retaining and inverting glycosidases.
J. Biol. Chem., 279, 2004
1V4T
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BU of 1v4t by Molmil
Crystal structure of human glucokinase
Descriptor: SODIUM ION, SULFATE ION, glucokinase isoform 2
Authors:Kamata, K, Mitsuya, M, Nishimura, T, Eiki, J, Nagata, Y.
Deposit date:2003-11-19
Release date:2004-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase
Structure, 12, 2004
7Z6B
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BU of 7z6b by Molmil
PET hydrolase PET6 from halophilic organsim Vibrio gazogenes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cutinase, ...
Authors:Weigert, S, Hoecker, B.
Deposit date:2022-03-11
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Investigation of the halophilic PET hydrolase PET6 from Vibrio gazogenes.
Protein Sci., 31, 2022
7YXD
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BU of 7yxd by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, SHP NR Box 1 Peptide, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-15
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
4MVQ
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BU of 4mvq by Molmil
Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Gilbert, Q.M, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-24
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014

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