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6J2M
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BU of 6j2m by Molmil
Crystal structure of AtFKBP53 C-terminal domain
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP53
Authors:Singh, A.K, Vasudevan, D.
Deposit date:2019-01-01
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:AtFKBP53: a chimeric histone chaperone with functional nucleoplasmin and PPIase domains.
Nucleic Acids Res., 48, 2020
7ZTU
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BU of 7ztu by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, D162L mutant
Descriptor: Carotenoid-binding protein
Authors:Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
Deposit date:2022-05-11
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter.
Int.J.Biol.Macromol., 223, 2022
6XCP
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BU of 6xcp by Molmil
Immune receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide, ...
Authors:Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H.
Deposit date:2020-06-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
8R8C
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BU of 8r8c by Molmil
Structure of the N-terminal domain of CMA from Cucumis melo in complex with N-acetylgalactosamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CADMIUM ION, ...
Authors:Varrot, A.
Deposit date:2023-11-28
Release date:2023-12-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Elucidating the glycan-binding specificity and structure of Cucumis melo agglutinin, a new R-type lectin.
Beilstein J Org Chem, 20, 2024
5EZE
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BU of 5eze by Molmil
A de novo designed heptameric coiled coil CC-Hept-I18betaMeCys-L22H-I25E
Descriptor: CC-Hept-bMeCys-His-Glu, GLYCEROL
Authors:Burton, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2015-11-26
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Installing hydrolytic activity into a completely de novo protein framework.
Nat.Chem., 8, 2016
6XSW
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BU of 6xsw by Molmil
Structure of the Notch3 NRR in complex with an antibody Fab Fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-N3 Fab Heavy Chain, ...
Authors:Bard, J.
Deposit date:2020-07-16
Release date:2021-07-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Cell Rep Med, 2, 2021
5U10
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BU of 5u10 by Molmil
E. coli dihydropteroate synthase complexed with pteroic acid
Descriptor: Dihydropteroate synthase, PHOSPHATE ION, PTEROIC ACID
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5EVD
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BU of 5evd by Molmil
Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-VC26
Descriptor: (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2015-11-19
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
6F88
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BU of 6f88 by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with progesterone
Descriptor: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-12-12
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
7PR2
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BU of 7pr2 by Molmil
Cocrystal of cytochrome c and sulfonato-thiacalix[4]arene
Descriptor: Cytochrome c iso-1, HEME C, sulfonato-thiacalix[4]arene
Authors:Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
8QC8
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BU of 8qc8 by Molmil
Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+
Descriptor: Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION
Authors:Pickles, I.B, Sharma, M, Davies, G.J.
Deposit date:2023-08-25
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
8QFP
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BU of 8qfp by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase anaerobic
Descriptor: CHLORIDE ION, Cysteine dioxygenase, MAGNESIUM ION, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
5EZW
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BU of 5ezw by Molmil
Thiosulfate bound rat cysteine dioxygenase Y157H variant
Descriptor: Cysteine dioxygenase type 1, FE (II) ION, THIOSULFATE
Authors:Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
Deposit date:2015-11-27
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Thiosulfate bound rat cysteine dioxygenase Y157H variant
To be published
6F8S
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BU of 6f8s by Molmil
Toxin-Antitoxin complex GraTA
Descriptor: DI(HYDROXYETHYL)ETHER, Putative Killer protein, SULFATE ION, ...
Authors:Talavera, A, Loris, R.
Deposit date:2017-12-13
Release date:2018-07-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT.
Nat Commun, 10, 2019
7Q5I
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BU of 7q5i by Molmil
A glucose-based molecular rotor probes the catalytic site of glycogen phosphorylase.
Descriptor: 2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide, BETA-MERCAPTOETHANOL, CARBONATE ION, ...
Authors:Neofytos, D.D, Chrysina, E.D.
Deposit date:2021-11-03
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A glucose-based molecular rotor inhibitor of glycogen phosphorylase as a probe of cellular enzymatic function.
Org.Biomol.Chem., 20, 2022
6XS9
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BU of 6xs9 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L1
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 48V-TYR-ILE-LYS-THR-PRO-LEU-GLY-THR-PHE-PRO-ASN-ARG-HIS-GLY, GLYCEROL, ...
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
7ZTQ
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BU of 7ztq by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform
Descriptor: Carotenoid-binding protein, GLYCEROL
Authors:Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
Deposit date:2022-05-11
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter.
Int.J.Biol.Macromol., 223, 2022
8QC2
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BU of 8qc2 by Molmil
Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+ and sulfoquinovose (SQ)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Pickles, I.B, Sharma, M, Davies, G.J.
Deposit date:2023-08-25
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
8QFL
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BU of 8qfl by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with iron
Descriptor: ACETATE ION, Cysteine dioxygenase, FE (III) ION, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
6BCG
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BU of 6bcg by Molmil
I-LtrI A28G bound to cognate substrate (pre-cleavage complex)
Descriptor: CALCIUM ION, DNA (26-MER), Ribosomal protein 3/homing endonuclease-like fusion protein
Authors:Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M.
Deposit date:2017-10-20
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
6X6W
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BU of 6x6w by Molmil
Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
Descriptor: ADP-ribosyltransferase
Authors:Pozharski, E.
Deposit date:2020-05-29
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
To Be Published
6P8R
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BU of 6p8r by Molmil
Structure of P. aeruginosa ATCC27853 HORMA2
Descriptor: HORMA domain containing protein, PHOSPHATE ION
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
6J1G
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BU of 6j1g by Molmil
Crystal structure of HypX from Aquifex aeolicus, R9A-Q15A-R131A-R542A variant
Descriptor: COENZYME A, GLYCEROL, Hydrogenase regulation HoxX
Authors:Muraki, N, Aono, S.
Deposit date:2018-12-28
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterization of HypX responsible for CO biosynthesis in the maturation of NiFe-hydrogenase.
Commun Biol, 2, 2019
8QFN
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BU of 8qfn by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase aerobic
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
7PR4
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BU of 7pr4 by Molmil
Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster
Descriptor: Cytochrome c iso-1, HEME C, PHOSPHATE ION, ...
Authors:Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022

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