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8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
Descriptor: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
6PT8
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BU of 6pt8 by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid
Descriptor: ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ...
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I.
Deposit date:2019-07-15
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
6PTF
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BU of 6ptf by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State
Descriptor: UPF0284 protein MJ1598
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2019-07-15
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
2EWL
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BU of 2ewl by Molmil
Solution structure of the C-terminal domain (monomer) of the HPV45 oncoprotein E7
Descriptor: Protein E7, ZINC ION
Authors:Ohlenschlager, O, Gorlach, M.
Deposit date:2005-11-04
Release date:2006-10-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the partially folded high-risk human papilloma virus 45 oncoprotein E7.
Oncogene, 25, 2006
8AZC
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BU of 8azc by Molmil
Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3
Authors:Sander, S, Tidow, H, Fliegert, R, Sandmann, M.
Deposit date:2022-09-05
Release date:2023-09-13
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
To Be Published
7BUP
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BU of 7bup by Molmil
Crystal structure of PCNA from pathogenic yeast Candida albicans
Descriptor: Proliferating cell nuclear antigen
Authors:sundaram, R, Vasudevan, D.
Deposit date:2020-04-07
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analyses of PCNA from the fungal pathogen Candida albicans identify three regions with species-specific conformations.
Febs Lett., 595, 2021
4EW9
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BU of 4ew9 by Molmil
The liganded structure of C. bescii family 3 pectate lyase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid, ACETATE ION, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2012-04-26
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure and mode of action of Caldicellulosiruptor bescii family 3 pectate lyase in biomass deconstruction.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
4NKK
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BU of 4nkk by Molmil
Crystal structure of a multi-drug resistant clinical isolate-769 HIV-1 protease variant that is resistant to the dimerization inhibitory activity of TLF-PafF
Descriptor: HIV-1 protease
Authors:Yedidi, R.S, Proteasa, G, Kovari, L.C.
Deposit date:2013-11-12
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A multi-drug resistant HIV-1 protease is resistant to the dimerization inhibitory activity of TLF-PafF.
J.Mol.Graph.Model., 53C, 2014
6D4M
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BU of 6d4m by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG3
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
6DWV
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BU of 6dwv by Molmil
Crystal structure of the LigJ Hydratase in the Apo state
Descriptor: 4-oxalomesaconate hydratase, ZINC ION
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2018-06-28
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
6PW8
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BU of 6pw8 by Molmil
Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
Descriptor: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
Authors:Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
Deposit date:2019-07-22
Release date:2020-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
6D4E
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BU of 6d4e by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG1.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Fc Fragment of IgG1
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
6PX2
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BU of 6px2 by Molmil
Acropora millepora GAPDH
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION
Authors:Brandt, G.S, Fields, P.A.
Deposit date:2019-07-24
Release date:2019-12-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Thermal stability and structure of glyceraldehyde-3-phosphate dehydrogenase from the coral Acropora millepora.
Rsc Adv, 11, 2021
6Q0N
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BU of 6q0n by Molmil
Structure of the Erbin PDB domain in complex with a high-affinity peptide
Descriptor: Erbin, peptide
Authors:Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S.
Deposit date:2019-08-02
Release date:2019-11-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
6DCN
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BU of 6dcn by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108pThr
Descriptor: BCL-xl protein, Beclin-1
Authors:Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
Deposit date:2018-05-07
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
4OM9
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BU of 4om9 by Molmil
X-Ray Crystal Structure of the passenger domain of Plasmid encoded toxin, an Autrotansporter Enterotoxin from enteroaggregative Escherichia coli (EAEC)
Descriptor: Serine protease pet
Authors:Meza-Aguilar, J.D, Fromme, P, Torres-Larios, A, Mendoza-Hernandez, G, Hernandez-Chinas, U, Arreguin-Espinosa de Los Monteros, R.A, Eslava-Campos, C.A, Fromme, R.
Deposit date:2014-01-27
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystal structure of the passenger domain of plasmid encoded toxin(Pet), an autotransporter enterotoxin from enteroaggregative Escherichia coli (EAEC).
Biochem.Biophys.Res.Commun., 445, 2014
8WQ9
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BU of 8wq9 by Molmil
Crystal structure of dihydropyrimidinase complexed with gamma-aminobutyric acid
Descriptor: D-hydantoinase/dihydropyrimidinase, GAMMA-AMINO-BUTANOIC ACID, ZINC ION
Authors:Huang, Y.H, Huang, C.Y.
Deposit date:2023-10-11
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The complexed crystal structure of dihydropyrimidinase reveals a potential interactive link with the neurotransmitter gamma-aminobutyric acid (GABA).
Biochem.Biophys.Res.Commun., 692, 2024
6DUP
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BU of 6dup by Molmil
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7
Descriptor: (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2
Authors:Chen, X, Zhang, Y, Mclean, L.R.
Deposit date:2018-06-21
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators.
Bioorg. Med. Chem. Lett., 28, 2018
8UEL
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BU of 8uel by Molmil
Crystal structure of enolase from Litopenaeus vannamei
Descriptor: Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ...
Authors:Chang, X, Zhao, G.
Deposit date:2023-10-01
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Characterization and Structural Analyses of Enolase from Shrimp ( Litopenaeus vannamei ).
J.Agric.Food Chem., 71, 2023
3U1R
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BU of 3u1r by Molmil
Structure Analysis of A New Psychrophilic Marine Protease
Descriptor: Alkaline metalloprotease, CALCIUM ION, ZINC ION
Authors:Zhang, S.-C, Sun, M, Tang, L, Wang, Q.-H, Hao, J.-H, Han, Y, Hu, X.-J, Zhou, M, Lin, S.-X.
Deposit date:2011-09-30
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure analysis of a new psychrophilic marine protease.
Plos One, 6, 2011
6Q3U
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BU of 6q3u by Molmil
Gly52Ala mutant of arginine-bound ArgBP from T. maritima
Descriptor: ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ...
Authors:Balasco, N, Smaldone, G, Ruggiero, A, Vitagliano, L.
Deposit date:2018-12-04
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The characterization of Thermotoga maritima Arginine Binding Protein variants demonstrates that minimal local strains have an important impact on protein stability.
Sci Rep, 9, 2019
4O1W
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BU of 4o1w by Molmil
Crystal Structure of Colwellia psychrerythraea cytochrome c
Descriptor: Cytochrome c552, DI(HYDROXYETHYL)ETHER, HEME C, ...
Authors:Harvilla, P.B, Wolcott, H.N, Magyar, J.S, Shapiro, L.S.
Deposit date:2013-12-16
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of ferricytochrome c552 from the psychrophilic marine bacterium Colwellia psychrerythraea 34H.
Metallomics, 6, 2014
6D71
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BU of 6d71 by Molmil
Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1
Authors:Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M.
Deposit date:2018-04-23
Release date:2019-10-09
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.7180779 Å)
Cite:Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase.
J.Struct.Biol., 212, 2020
6PU6
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BU of 6pu6 by Molmil
CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide
Descriptor: ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE, NICOTINIC ACID, ...
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2019-07-17
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
8TJG
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BU of 8tjg by Molmil
Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, ZINC ION
Authors:Warren, G, Shuman, S.
Deposit date:2023-07-21
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+
To Be Published

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