8SDQ
 
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8SDO
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8SDX
 | | ATAD2B bromodomain in complex with histone H4 acetylated at lysine 5 with Serine 1 mutation to Cysteine | | Descriptor: | ATPase family AAA domain-containing protein 2B, SULFATE ION, histone H4S1CK5ac | | Authors: | Phillips, M, Montgomery, C, Nix, J.C, Glass, K.C. | | Deposit date: | 2023-04-07 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
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8RQC
 | | Crystal structure of CRBN-midi in complex with mezigdomide and IKZF1 ZF2 | | Descriptor: | DNA-binding protein Ikaros, Mezigdomide, Protein cereblon, ... | | Authors: | Furihata, H, Kroupova, A, Zollman, D, Ciulli, A. | | Deposit date: | 2024-01-17 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders
To Be Published
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8RQA
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6EYF
 | | Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, GLYCEROL, ... | | Authors: | Brazzolotto, X, De la Mora, E, Dighe, S, Ross, B. | | Deposit date: | 2017-11-12 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
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6EZ2
 | | Human butyrylcholinesterase carbamylated. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P. | | Deposit date: | 2017-11-14 | | Release date: | 2018-12-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model.
Commun Chem, 2019
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7UQ0
 | | Putative periplasmic iron siderophore binding protein FecB (Rv3044) from Mycobacterium tuberculosis | | Descriptor: | CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Chao, A, Cuthbert, B.J, Goulding, C.W. | | Deposit date: | 2022-04-18 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake.
Plos Pathog., 19, 2023
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6EUE
 | | Rivastigmine analogue bound to Tc ACHE. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, PENTAETHYLENE GLYCOL | | Authors: | De la Mora, E, Brazzolotto, X, Dighe, S.N, Silman, I, Weik, M, Ross, B. | | Deposit date: | 2017-10-30 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
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7U2Q
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7U2T
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8UR5
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8UR7
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3OEI
 | | Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3) | | Descriptor: | CITRATE ANION, RelJ (Antitoxin Rv3357), RelK (Toxin Rv3358) | | Authors: | Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2010-08-12 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.145 Å) | | Cite: | Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
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3G5O
 | | The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from Mycobacterium tuberculosis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2009-02-05 | | Release date: | 2009-04-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
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8UOS
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8UPB
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8UPA
 | | Structure of gp130 in complex with a de novo designed IL-6 mimetic | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, De novo designed IL-6 mimetic, Interleukin-6 receptor subunit beta, ... | | Authors: | Borowska, M.T, Jude, K.M, Garcia, K.C. | | Deposit date: | 2023-10-22 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | De novo design of miniprotein antagonists of cytokine storm inducers.
Nat Commun, 15, 2024
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8RQN
 | | Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Thyroid hormone receptor beta | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
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8RQO
 | | Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Isoform Alpha-1 of Thyroid hormone receptor alpha, SULFATE ION | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
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4RZT
 | | Lac repressor engineered to bind sucralose, sucralose-bound tetramer | | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Lac repressor | | Authors: | Arbing, M.A, Cascio, D, Sawaya, M.R, Kosuri, S, Church, G.M. | | Deposit date: | 2014-12-24 | | Release date: | 2015-12-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Engineering an allosteric transcription factor to respond to new ligands.
Nat.Methods, 13, 2016
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4RZS
 | | Lac repressor engineered to bind sucralose, unliganded tetramer | | Descriptor: | GLYCEROL, Lac repressor | | Authors: | Arbing, M.A, Cascio, D, Kosuri, S, Church, G.M. | | Deposit date: | 2014-12-24 | | Release date: | 2015-12-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Engineering an allosteric transcription factor to respond to new ligands.
Nat.Methods, 13, 2016
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4RCL
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7JHX
 | | Crystal structure of hEPG5 LIR/GABARAPL1 complex | | Descriptor: | Ectopic P granules protein 5 homolog, Gamma-aminobutyric acid receptor-associated protein-like 1, SULFATE ION | | Authors: | Cheung, Y.W.S, Yip, C.K. | | Deposit date: | 2020-07-21 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Insights on autophagosome-lysosome tethering from structural and biochemical characterization of human autophagy factor EPG5.
Commun Biol, 4, 2021
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8RQ9
 | | Crystal structure of PROTAC CFT-1297 in complex with CRBN-midi and BRD4(BD2) | | Descriptor: | (3~{S})-3-[7-[1-[7-[4-[6-(4-chlorophenyl)-1-methyl-spiro[[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4,1'-cyclopropane]-8-yl]pyrazol-1-yl]heptyl]piperidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione, Bromodomain-containing protein 4, Protein cereblon, ... | | Authors: | Darren, D, Ramachandran, S, Kroupova, A, Zollman, D, Ciulli, A. | | Deposit date: | 2024-01-17 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders
To Be Published
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