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8SDQ
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BU of 8sdq by Molmil
ATAD2 bromodomain in complex with H4S1phK5ac (res 1-15) ligand
分子名称: ATPase family AAA domain-containing protein 2, Histone H4
著者Malone, K.L, Nix, J.C, Glass, K.C.
登録日2023-04-07
公開日2024-06-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
8SDO
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BU of 8sdo by Molmil
ATAD2 bromodomain in complex with "oncohistone" mutation H4S1CK5ac (res 1-15) ligand
分子名称: ATPase family AAA domain-containing protein 2, Histone H4
著者Malone, K.L, Nix, J.C, Glass, K.C.
登録日2023-04-07
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
8SDX
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BU of 8sdx by Molmil
ATAD2B bromodomain in complex with histone H4 acetylated at lysine 5 with Serine 1 mutation to Cysteine
分子名称: ATPase family AAA domain-containing protein 2B, SULFATE ION, histone H4S1CK5ac
著者Phillips, M, Montgomery, C, Nix, J.C, Glass, K.C.
登録日2023-04-07
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
8RQC
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BU of 8rqc by Molmil
Crystal structure of CRBN-midi in complex with mezigdomide and IKZF1 ZF2
分子名称: DNA-binding protein Ikaros, Mezigdomide, Protein cereblon, ...
著者Furihata, H, Kroupova, A, Zollman, D, Ciulli, A.
登録日2024-01-17
公開日2024-09-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders
To Be Published
8RQA
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BU of 8rqa by Molmil
Crystal structure of CRBN-midi in complex with Lenalidomide
分子名称: Protein cereblon, S-Lenalidomide, ZINC ION
著者Rutter, Z.J, Kroupova, A, Zollman, D, Ciulli, A.
登録日2024-01-17
公開日2024-09-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders
To Be Published
6EYF
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BU of 6eyf by Molmil
Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, GLYCEROL, ...
著者Brazzolotto, X, De la Mora, E, Dighe, S, Ross, B.
登録日2017-11-12
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
6EZ2
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BU of 6ez2 by Molmil
Human butyrylcholinesterase carbamylated.
分子名称: 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, ...
著者Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P.
登録日2017-11-14
公開日2018-12-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model.
Commun Chem, 2019
7UQ0
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BU of 7uq0 by Molmil
Putative periplasmic iron siderophore binding protein FecB (Rv3044) from Mycobacterium tuberculosis
分子名称: CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ...
著者Chao, A, Cuthbert, B.J, Goulding, C.W.
登録日2022-04-18
公開日2022-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake.
Plos Pathog., 19, 2023
6EUE
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BU of 6eue by Molmil
Rivastigmine analogue bound to Tc ACHE.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, PENTAETHYLENE GLYCOL
著者De la Mora, E, Brazzolotto, X, Dighe, S.N, Silman, I, Weik, M, Ross, B.
登録日2017-10-30
公開日2018-11-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
7U2Q
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BU of 7u2q by Molmil
Influenza Neuraminidase N1-CA09-sNAp-155
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Influenza N1-CA09-sNAp-155
著者Acton, O.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-24
公開日2022-04-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-based design of stabilized recombinant influenza neuraminidase tetramers.
Nat Commun, 13, 2022
7U2T
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BU of 7u2t by Molmil
Influenza Neuraminidase N1-MI15-sNAp-174
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Influenza N1-MI15-sNAp-174
著者Acton, O.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-24
公開日2022-04-20
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structure-based design of stabilized recombinant influenza neuraminidase tetramers.
Nat Commun, 13, 2022
8UR5
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BU of 8ur5 by Molmil
I53_dn5 nanoparticle displaying the trimeric HA heads with heptad domain, TH-1heptad-I53_dn5 (local refinement of TH-1heptad)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Trimer head HA,Hemagglutinin HA1 chain
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-10-25
公開日2023-12-27
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Antigen spacing on protein nanoparticles influences antibody responses to vaccination.
Cell Rep, 42, 2023
8UR7
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BU of 8ur7 by Molmil
I53_dn5 nanoparticle displaying the trimeric HA heads with heptad domain, TH-6heptad-I53_dn5 (local refinement of TH-6heptad)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Trimer head HA,Hemagglutinin HA1 chain
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-10-25
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Antigen spacing on protein nanoparticles influences antibody responses to vaccination.
Cell Rep, 42, 2023
3OEI
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BU of 3oei by Molmil
Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3)
分子名称: CITRATE ANION, RelJ (Antitoxin Rv3357), RelK (Toxin Rv3358)
著者Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2010-08-12
公開日2011-03-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.145 Å)
主引用文献Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
3G5O
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BU of 3g5o by Molmil
The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from Mycobacterium tuberculosis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI)
登録日2009-02-05
公開日2009-04-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
8UOS
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BU of 8uos by Molmil
Designed IL-1R antagonist IL-1Rmb80
分子名称: GLYCEROL, IL-1Rmb80
著者Jude, K.M, Garcia, K.C.
登録日2023-10-20
公開日2024-08-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献De novo design of miniprotein antagonists of cytokine storm inducers.
Nat Commun, 15, 2024
8UPB
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BU of 8upb by Molmil
De novo designed IL-6 mimetic
分子名称: De novo designed IL-6 mimetic
著者Borowska, M.T, Jude, K.M, Garcia, K.C.
登録日2023-10-22
公開日2024-08-28
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献De novo design of miniprotein antagonists of cytokine storm inducers.
Nat Commun, 15, 2024
8UPA
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BU of 8upa by Molmil
Structure of gp130 in complex with a de novo designed IL-6 mimetic
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, De novo designed IL-6 mimetic, Interleukin-6 receptor subunit beta, ...
著者Borowska, M.T, Jude, K.M, Garcia, K.C.
登録日2023-10-22
公開日2024-08-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献De novo design of miniprotein antagonists of cytokine storm inducers.
Nat Commun, 15, 2024
8RQN
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BU of 8rqn by Molmil
Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009
分子名称: 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
著者Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C.
登録日2024-01-18
公開日2024-09-11
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献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
8RQO
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BU of 8rqo by Molmil
Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009
分子名称: 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
著者Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C.
登録日2024-01-18
公開日2024-09-11
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献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
4RZT
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BU of 4rzt by Molmil
Lac repressor engineered to bind sucralose, sucralose-bound tetramer
分子名称: 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Lac repressor
著者Arbing, M.A, Cascio, D, Sawaya, M.R, Kosuri, S, Church, G.M.
登録日2014-12-24
公開日2015-12-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Engineering an allosteric transcription factor to respond to new ligands.
Nat.Methods, 13, 2016
4RZS
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BU of 4rzs by Molmil
Lac repressor engineered to bind sucralose, unliganded tetramer
分子名称: GLYCEROL, Lac repressor
著者Arbing, M.A, Cascio, D, Kosuri, S, Church, G.M.
登録日2014-12-24
公開日2015-12-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Engineering an allosteric transcription factor to respond to new ligands.
Nat.Methods, 13, 2016
4RCL
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BU of 4rcl by Molmil
Structure of EspG3 chaperone from the type VII (ESX-3) secretion system, space group P43212
分子名称: ESPG3
著者Korotkov, K.V.
登録日2014-09-16
公開日2015-09-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems.
J. Mol. Biol., 431, 2019
7JHX
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BU of 7jhx by Molmil
Crystal structure of hEPG5 LIR/GABARAPL1 complex
分子名称: Ectopic P granules protein 5 homolog, Gamma-aminobutyric acid receptor-associated protein-like 1, SULFATE ION
著者Cheung, Y.W.S, Yip, C.K.
登録日2020-07-21
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Insights on autophagosome-lysosome tethering from structural and biochemical characterization of human autophagy factor EPG5.
Commun Biol, 4, 2021
8RQ9
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BU of 8rq9 by Molmil
Crystal structure of PROTAC CFT-1297 in complex with CRBN-midi and BRD4(BD2)
分子名称: (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, ...
著者Darren, D, Ramachandran, S, Kroupova, A, Zollman, D, Ciulli, A.
登録日2024-01-17
公開日2024-09-25
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders
To Be Published

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件を2024-10-16に公開中

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