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9B5E
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BU of 9b5e by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - Ub(T) class 10 map and model from consensus
分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, Large ribosomal subunit protein eL40B, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9BRX
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BU of 9brx by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 10
分子名称: (4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine, Papain-like protease nsp3, SULFATE ION, ...
著者Amporndanai, K, Zhao, B, Fesik, S.W.
登録日2024-05-11
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PLpro)
Acs Med.Chem.Lett., 2024
9FBX
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BU of 9fbx by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ...
著者Chung, C.
登録日2024-05-14
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 67, 2024
9ATN
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BU of 9atn by Molmil
NMR structure of the MLL4 PHD2/3 fingers in complex with ASXL2
分子名称: Histone-lysine N-methyltransferase 2D, Polycomb group protein ASXL2, ZINC ION
著者Zhang, Y, Zandian, M, Kutateladze, T.
登録日2024-02-27
公開日2024-06-19
実験手法SOLUTION NMR
主引用文献ASXLs binding to the PHD2/3 fingers of MLL4 provides a mechanism for the recruitment of BAP1 to active enhancers.
Nat Commun, 15, 2024
6DR5
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BU of 6dr5 by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31Chg point mutation
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ORT-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORT-ALA-CHG-ILE-GLY-LEU-ORA-VAL
著者Salveson, P.J, Nowick, J.S.
登録日2018-06-11
公開日2018-10-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Repurposing Triphenylmethane Dyes to Bind to Trimers Derived from A beta.
J. Am. Chem. Soc., 140, 2018
9BRA
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BU of 9bra by Molmil
Intact V-ATPase State 2 and synaptophysin complex in mouse brain isolated synaptic vesicles
分子名称: Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ...
著者Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
登録日2024-05-11
公開日2024-06-19
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
8ZM5
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BU of 8zm5 by Molmil
Crystal structure of Thermolysin (Dose II)
分子名称: CALCIUM ION, ISOLEUCINE, LYSINE, ...
著者Nam, K.H.
登録日2024-05-22
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of Thermolysin (Dose II)
To Be Published
8Z3B
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BU of 8z3b by Molmil
Crystal structure of GSTd2
分子名称: Glutathione S-transferase delta
著者Mo, X, Yao, Y.
登録日2024-04-15
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of a Plutella xylostella GZTd2, evolved in isothiocyanate detoxification
To be published
9F99
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BU of 9f99 by Molmil
Crystal structure of MUS81-EME1 bound by compound 10.
分子名称: 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-06-19
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
9B58
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BU of 9b58 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 4
分子名称: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway
Nature, 2024
8Z50
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BU of 8z50 by Molmil
Crystal structure of the ASF1-H3T-H4 complex
分子名称: Histone H3.1t, Histone H4, Histone chaperone ASF1A
著者Xu, L.
登録日2024-04-18
公開日2024-07-03
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into instability of the nucleosome driven by histone variant H3T.
Biochem.Biophys.Res.Commun., 727, 2024
9FIH
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BU of 9fih by Molmil
Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, FE2/S2 (INORGANIC) CLUSTER, ...
著者Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
登録日2024-05-29
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
6DJO
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BU of 6djo by Molmil
Cryo-EM structure of ADP-actin filaments
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Chou, S.Z, Pollard, T.D.
登録日2018-05-25
公開日2019-02-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Mechanism of actin polymerization revealed by cryo-EM structures of actin filaments with three different bound nucleotides.
Proc.Natl.Acad.Sci.USA, 116, 2019
9EOW
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BU of 9eow by Molmil
The 5-terminal stem-loop RNA element of SARS-CoV-2 features highly dynamic structural elements that are sensitive to differences in cellular pH
分子名称: RNA (29-MER)
著者Wacker, A, Schwalbe, H.
登録日2024-03-15
公開日2024-06-19
最終更新日2024-07-31
実験手法SOLUTION NMR
主引用文献The 5'-terminal stem-loop RNA element of SARS-CoV-2 features highly dynamic structural elements that are sensitive to differences in cellular pH.
Nucleic Acids Res., 52, 2024
9B5I
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BU of 9b5i by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - cluster 4 map and model (Ub(A)-AMP/PPi/Mg)
分子名称: 4-aminobutanenitrile, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9BB4
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BU of 9bb4 by Molmil
Backbone Modification in the GA Module of Protein PAB: beta3-residues at positions 23 and 26
分子名称: Peptostreptococcal albumin-binding protein
著者Lin, Y, Horne, W.S.
登録日2024-04-05
公開日2024-06-05
実験手法SOLUTION NMR
主引用文献Backbone Modification in a Protein Hydrophobic Core.
Chemistry, 2024
9F9M
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BU of 9f9m by Molmil
Crystal structure of MUS81-EME1 bound by compound 21.
分子名称: 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-08
公開日2024-06-19
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.469 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8ZWH
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BU of 8zwh by Molmil
Heparin bound E46K alpha-synuclein fibril
分子名称: Alpha-synuclein
著者Tao, Y.Q, Liu, C, Li, D.
登録日2024-06-13
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Heparin bound E46K alpha-synuclein fibril
To Be Published
8YXO
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BU of 8yxo by Molmil
Structure of Phosphoprotein tetramer from mumps virus
分子名称: Phosphoprotein
著者Li, T.H, Shen, Q.T.
登録日2024-04-02
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
9C0B
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BU of 9c0b by Molmil
E.coli GroEL + PBZ1587 inhibitor
分子名称: 60 kDa chaperonin, N-(2-{4-[4-(aminomethyl)benzene-1-sulfonamido]phenyl}-1,3-benzoxazol-5-yl)-5-chlorothiophene-2-sulfonamide
著者Watson, E.R, Lander, G.C.
登録日2024-05-25
公開日2024-08-07
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
6DUQ
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BU of 6duq by Molmil
Structure of a Rho-NusG KOW domain complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Berger, J.M, Lawson, M.R.
登録日2018-06-21
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Mechanism for the Regulated Control of Bacterial Transcription Termination by a Universal Adaptor Protein.
Mol. Cell, 71, 2018
6DLM
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BU of 6dlm by Molmil
DHD127
分子名称: DHD127_A, DHD127_B
著者Bick, M.J, Chen, Z, Baker, D.
登録日2018-06-01
公開日2018-12-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
9C0Z
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BU of 9c0z by Molmil
Clathrin terminal domain complexed with pitstop 2d
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V.
登録日2024-05-28
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
9BBH
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BU of 9bbh by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028670
分子名称: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
9FEA
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BU of 9fea by Molmil
Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NAD+
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
登録日2024-05-17
公開日2024-07-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024

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件を2024-08-14に公開中

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