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6SYC
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BU of 6syc by Molmil
Crystal structure of the lysozyme in presence of bromophenol blue at pH 6.5
Descriptor: CHLORIDE ION, IMIDAZOLE, Lysozyme, ...
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2019-09-27
Release date:2020-09-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Lysozyme crystals dyed with bromophenol blue: where has the dye gone?
Acta Crystallogr D Struct Biol, 76, 2020
7A12
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BU of 7a12 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GW557358X (COMPOUND 9)
Descriptor: 5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
Authors:Thorpe, J.H.
Deposit date:2020-08-11
Release date:2020-09-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A2A
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BU of 7a2a by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Spebrutinib and EAI001
Descriptor: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, CHLORIDE ION, Epidermal growth factor receptor, ...
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-08-17
Release date:2020-11-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
7A3M
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BU of 7a3m by Molmil
Synergistic stabilization of a double mutant in CI2 from an in-cell library screen
Descriptor: Subtilisin-chymotrypsin inhibitor-2A
Authors:Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V.
Deposit date:2020-08-18
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
7A40
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BU of 7a40 by Molmil
Nucleotide-free OSM-3 kinesin motor domain
Descriptor: GLYCEROL, Osmotic avoidance abnormal protein 3, SULFATE ION
Authors:Varela, F.P, Menetrey, J, Gigant, B.
Deposit date:2020-08-19
Release date:2021-02-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural snapshots of the kinesin-2 OSM-3 along its nucleotide cycle: implications for the ATP hydrolysis mechanism.
Febs Open Bio, 11, 2021
5LHE
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BU of 5lhe by Molmil
Phosphoribosyl anthranilate isomerase from Thermococcus kodakaraensis
Descriptor: N-(5'-phosphoribosyl)anthranilate isomerase, SODIUM ION
Authors:Perveen, S, Rashid, N, Papageorgiou, A.C.
Deposit date:2016-07-11
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a phosphoribosyl anthranilate isomerase from the hyperthermophilic archaeon Thermococcus kodakaraensis.
Acta Crystallogr F Struct Biol Commun, 72, 2016
6ZYV
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BU of 6zyv by Molmil
Structure of a Plasmodium PIR protein ectodomain
Descriptor: CIR protein
Authors:Harrison, T.E, Higgins, M.K.
Deposit date:2020-08-03
Release date:2020-11-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of the Plasmodium -interspersed repeat proteins of the malaria parasite.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZZP
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BU of 6zzp by Molmil
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and 3-oxovalerate
Descriptor: 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase
Authors:Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V.
Deposit date:2020-08-04
Release date:2020-10-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
7AE2
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BU of 7ae2 by Molmil
Crystal structure of HEPN(H107A-Y109F) toxin in complex with MNT antitoxin
Descriptor: HEPN toxin, MNT ANTITOXIN
Authors:Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V.
Deposit date:2020-09-17
Release date:2020-12-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
7AE6
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BU of 7ae6 by Molmil
Crystal structure of di-AMPylated HEPN(R102A) toxin
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, HEPN toxin
Authors:Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V.
Deposit date:2020-09-17
Release date:2020-12-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
7A78
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BU of 7a78 by Molmil
Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ...
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-08-27
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms.
Int J Mol Sci, 21, 2020
6SI3
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BU of 6si3 by Molmil
p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9301
Descriptor: 1,2-ETHANEDIOL, 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, ...
Authors:Joerger, A.C, Bauer, M.R, Structural Genomics Consortium (SGC)
Deposit date:2019-08-08
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
5LKE
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BU of 5lke by Molmil
Bovine beta-lactoglobulin complex with myristic acid, ambient pressure
Descriptor: Beta-lactoglobulin, MYRISTIC ACID
Authors:Kurpiewska, K, Lewinski, K, Garbacz, K.
Deposit date:2016-07-22
Release date:2016-08-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Towards understanding the effect of high pressure on food protein allergenicity: beta-lactoglobulin structural studies.
Food Chem, 270, 2019
6SIF
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BU of 6sif by Molmil
Epidermicin antimicrobial protein from Staphylococcus epidermidis
Descriptor: Epidermicin locus structural protein, SULFATE ION
Authors:Derrick, J.P.
Deposit date:2019-08-09
Release date:2020-08-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Flowering Poration-A Synergistic Multi-Mode Antibacterial Mechanism by a Bacteriocin Fold.
Iscience, 23, 2020
5LQI
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BU of 5lqi by Molmil
W288A mutant of GlxA from Streptomyces lividans: apo form
Descriptor: Secreted protein
Authors:Chaplin, A.K, Hough, M.A, Worrall, J.A.R.
Deposit date:2016-08-17
Release date:2017-08-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Active-site maturation and activity of the copper-radical oxidase GlxA are governed by a tryptophan residue.
Biochem. J., 474, 2017
6ZT1
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BU of 6zt1 by Molmil
Two states of a de novo hexameric coiled coil assembly CC-Type2-(LaIdGe)4
Descriptor: CC-Type2-(LaIdGe)4
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2020-07-17
Release date:2021-02-03
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural resolution of switchable states of a de novo peptide assembly.
Nat Commun, 12, 2021
6SJ4
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BU of 6sj4 by Molmil
Amidohydrolase, AHS with substrate analog
Descriptor: 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)carbonyloxybenzoic acid, Amidohydrolase, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
7AAS
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BU of 7aas by Molmil
Crystal structure of nitrosoglutathione reductase (GSNOR) from Chlamydomonas reinhardtii
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, S-(hydroxymethyl)glutathione dehydrogenase, ...
Authors:Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D.
Deposit date:2020-09-04
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020
6SEX
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BU of 6sex by Molmil
X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Ferraro, G, Giorgio, A, Merlino, A.
Deposit date:2019-07-30
Release date:2019-09-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
5LSB
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BU of 5lsb by Molmil
Crystal structure of yeast Hsh49p in complex with Cus1p binding domain.
Descriptor: Cold sensitive U2 snRNA suppressor 1, Protein HSH49
Authors:van Roon, A.M, Obayashi, E, Sposito, B, Oubridge, C, Nagai, K.
Deposit date:2016-08-24
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of U2 snRNP SF3b components: Hsh49p in complex with Cus1p-binding domain.
RNA, 23, 2017
6SFH
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BU of 6sfh by Molmil
CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7
Descriptor: (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase, LITHIUM ION, ...
Authors:Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2019-08-01
Release date:2020-04-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product.
Chemistry, 26, 2020
5LSP
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BU of 5lsp by Molmil
107_A07 Fab in complex with fragment of the Met receptor
Descriptor: 107_A07 Fab heavy chain, 107_A07 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:DiCara, D, Chirgadze, D.Y, Pope, A, Karatt-Vellatt, A, Winter, A, van den Heuvel, J, Gherardi, E, McCafferty, J.
Deposit date:2016-09-05
Release date:2017-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.605 Å)
Cite:Characterization and structural determination of a new anti-MET function-blocking antibody with binding epitope distinct from the ligand binding domain.
Sci Rep, 7, 2017
7AED
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BU of 7aed by Molmil
VirB8 domain of PrgL from Enterococcus faecalis pCF10
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PrgL
Authors:Jaeger, F, Berntsson, R.P.A.
Deposit date:2020-09-17
Release date:2020-11-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structure of the enterococcal T4SS protein PrgL reveals unique dimerization interface in the VirB8 protein family.
Structure, 30, 2022
6SKV
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BU of 6skv by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH2)
Descriptor: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Groves, M.R, Wang, W, van Oosterwijk, N.
Deposit date:2019-08-16
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Target diazotransfer reagents to label metalloenzymes
To Be Published
6ZZQ
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BU of 6zzq by Molmil
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and acetoacetate
Descriptor: 3-hydroxybutyrate dehydrogenase, ACETOACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V.
Deposit date:2020-08-05
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020

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