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5AG9
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BU of 5ag9 by Molmil
CRYSTAL STRUCTURE OF A MUTANT (665sXa) C-TERMINAL DOMAIN OF RGPB
Descriptor: Gingipain R2, SULFATE ION
Authors:de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J.
Deposit date:2015-01-29
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
7CZ0
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BU of 7cz0 by Molmil
Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb92)
Descriptor: ACETATE ION, CACODYLATE ION, CACODYLIC ACID, ...
Authors:Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D.
Deposit date:2020-09-06
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:An improved fluorescent protein tag and its nanobodies for membrane protein expression, stability assay, and purification
To Be Published
5AFH
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BU of 5afh by Molmil
alpha7-AChBP in complex with lobeline
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7, ...
Authors:Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C.
Deposit date:2015-01-22
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
5ABT
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BU of 5abt by Molmil
S.enterica HisA mutant D7N, G102A, V106M, D176A
Descriptor: 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENE AMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2015-08-08
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Protein Structures, Functions and Dynamics of Adaptive Evolution
To be Published
5AJ3
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BU of 5aj3 by Molmil
Structure of the small subunit of the mammalian mitoribosome
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MITORIBOSOMAL 12S RRNA, ...
Authors:Greber, B.J, Bieri, P, Leibundgut, M, Leitner, A, Aebersold, R, Boehringer, D, Ban, N.
Deposit date:2015-02-20
Release date:2015-04-22
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Ribosome. The complete structure of the 55S mammalian mitochondrial ribosome.
Science, 348, 2015
5AKS
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BU of 5aks by Molmil
Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-3-O- glucuronide
Descriptor: DIMETHYL SULFOXIDE, Resveratrol-3-O-glucuronide, SULFATE ION, ...
Authors:Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R.
Deposit date:2015-03-05
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites
J.Biol.Chem., 290, 2015
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AF5
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BU of 5af5 by Molmil
Structure of Lys33-linked triUb S.G. P 212121
Descriptor: POLYUBIQUITIN-C
Authors:Michel, M.A, Elliott, P.R, Swatek, K.N, Simicek, M, Pruneda, J.N, Wagstaff, J.L, Freund, S.M.V, Komander, D.
Deposit date:2015-01-19
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Assembly and Specific Recognition of K29- and K33-Linked Polyubiquitin.
Mol.Cell, 58, 2015
5A3B
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BU of 5a3b by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, ALANINE, ...
Authors:Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
Deposit date:2015-05-28
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
5A4C
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BU of 5a4c by Molmil
FGFR1 ligand complex
Descriptor: 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
Authors:Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L.
Deposit date:2015-06-05
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
5A4D
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BU of 5a4d by Molmil
Crystal structure of the chloroplastic gamma-ketol reductase from Arabidopsis thaliana bound to 13KOTE and NADP
Descriptor: (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, ...
Authors:Mas-y-mas, S, Curien, G, Giustini, C, Rolland, N, Ferrer, J.L, Cobessi, D.
Deposit date:2015-06-08
Release date:2016-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.807 Å)
Cite:Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana.
Front Plant Sci, 8, 2017
4ZZ9
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BU of 4zz9 by Molmil
Crystal structure of T75S mutant of Triosephosphate isomerase from Plasmodium falciparum
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, Triosephosphate isomerase
Authors:Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
Deposit date:2015-05-22
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
4ZZK
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BU of 4zzk by Molmil
Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori
Descriptor: Basal-body rod modification protein FlgD
Authors:Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G.
Deposit date:2015-05-22
Release date:2016-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori.
J.Struct.Biol., 194, 2016
5A8S
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BU of 5a8s by Molmil
Crystal structure of Antheraea mylitta CPV4 polyhedra type 1
Descriptor: POLYHEDRIN
Authors:Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I.
Deposit date:2015-07-16
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015
5AFL
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BU of 5afl by Molmil
alpha7-AChBP in complex with lobeline and fragment 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7, ...
Authors:Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C.
Deposit date:2015-01-22
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.385 Å)
Cite:Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
5AH1
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BU of 5ah1 by Molmil
Structure of EstA from Clostridium botulinum
Descriptor: POTASSIUM ION, TRIACYLGLYCEROL LIPASE, ZINC ION
Authors:Pairitsch, A, Lyskowski, A, Hromic, A, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Sinkel, C, Kueper, U, Ribitsch, D, Guebitz, G.M.
Deposit date:2015-02-04
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Hydrolysis of Synthetic Polyesters by Clostridium Botulinum Esterases.
Biotechnol.Bioeng., 113, 2016
7D6W
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BU of 7d6w by Molmil
Crystal structure of Phycocyanin from Synechococcus sp. R42DM
Descriptor: PHYCOCYANOBILIN, Phycocyanin alpha subunit, Phycocyanin beta subunit
Authors:Patel, S.N, Sonani, R.R, Chaubey, M.G, Singh, N.K, Kumar, V, Madamwar, D.
Deposit date:2020-10-02
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of Synechococcus phycocyanin: implications of light-harvesting and antioxidant properties.
3 Biotech, 13, 2023
5A6N
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BU of 5a6n by Molmil
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2
Descriptor: 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ...
Authors:Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G.
Deposit date:2015-06-30
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
7DNU
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BU of 7dnu by Molmil
mRNA-decapping enzyme g5Rp with inhibitor insp6 complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, mRNA-decapping protein g5R
Authors:Yang, Y, Chen, C, Li, L, Li, X.H, Su, D.
Deposit date:2020-12-10
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp.
J.Virol., 96, 2022
7DNT
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BU of 7dnt by Molmil
mRNA-decapping enzyme g5Rp
Descriptor: mRNA-decapping protein g5R
Authors:Yang, Y, Chen, C, Li, L, Li, X.H, Su, D.
Deposit date:2020-12-10
Release date:2022-03-09
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp.
J.Virol., 96, 2022
4PGK
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BU of 4pgk by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
Descriptor: 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, FE (III) ION
Authors:Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2014-05-02
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
7MP7
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BU of 7mp7 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb3
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-05-04
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MN1
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BU of 7mn1 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sa1
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MQ4
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BU of 7mq4 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb1
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-05-05
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7NAY
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BU of 7nay by Molmil
Crystal structure of lactate dehydrogenase from Selenomonas ruminantium with NADH.
Descriptor: 1,2-ETHANEDIOL, BORIC ACID, L-lactate dehydrogenase, ...
Authors:Bertrand, Q, Robin, A, Girard, E, Madern, D.
Deposit date:2021-01-25
Release date:2021-02-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
J.Struct.Biol., 215, 2023

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