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7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
分子名称: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
著者Liu, Y, Ruan, K.
登録日2021-09-30
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
著者Liu, Y, Ruan, K.
登録日2021-09-29
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
6AJ9
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BU of 6aj9 by Molmil
The structure of Enterovirus D68 mature virion in complex with Fab 15C5 and 11G1
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
登録日2018-08-27
公開日2018-11-07
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AFE
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BU of 6afe by Molmil
DJ-1 with compound 7
分子名称: 7-(trifluoromethyl)-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
3UIM
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BU of 3uim by Molmil
Structural basis for the impact of phosphorylation on plant receptor-like kinase BAK1 activation
分子名称: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Lou, Z.Y, Yan, L.M, Ma, Y.Y.
登録日2011-11-05
公開日2012-05-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the impact of phosphorylation on the activation of plant receptor-like kinase BAK1
Cell Res., 22, 2012
6AJ3
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BU of 6aj3 by Molmil
The structure of Enterovirus D68 procapsid
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
登録日2018-08-26
公開日2018-11-07
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AJ7
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BU of 6aj7 by Molmil
The structure of Enterovirus D68 mature virion in complex with Fab 15C5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
登録日2018-08-27
公開日2018-11-07
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AF9
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BU of 6af9 by Molmil
DJ-1 with isatin bound (high concentration)
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFJ
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BU of 6afj by Molmil
DJ-1 with compound 13
分子名称: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFF
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BU of 6aff by Molmil
DJ-1 with compound 8
分子名称: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
7VIJ
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BU of 7vij by Molmil
Crystal structure of USP7-HUBL domain
分子名称: Ubiquitin carboxyl-terminal hydrolase 7
著者Feng, N, Zeng, K.W.
登録日2021-09-27
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy.
Sci Adv, 8, 2022
6AY9
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BU of 6ay9 by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with CPSF6 peptide
分子名称: CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein, ...
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6AYA
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BU of 6aya by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Nup153 peptide
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2J
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BU of 6b2j by Molmil
E45A mutant of HIV-1 capsid protein (other crystal form)
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
3VLN
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BU of 3vln by Molmil
Human Glutathione Transferase O1-1 C32S Mutant in Complex with Ascorbic Acid
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ASCORBIC ACID, ...
著者Brock, J, Board, P.G, Oakley, A.J.
登録日2011-12-02
公開日2012-05-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
7XPY
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BU of 7xpy by Molmil
Crystal structure of USP7 in complex with its inhibitor
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, [(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate
著者Feng, N, Zeng, K.W.
登録日2022-05-06
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy.
Sci Adv, 8, 2022
6B2I
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BU of 6b2i by Molmil
E45A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2G
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BU of 6b2g by Molmil
P38A mutant of HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2H
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BU of 6b2h by Molmil
P38A/T216I mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6CHC
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BU of 6chc by Molmil
JzTx-V toxin peptide, wild-type
分子名称: Beta/kappa-theraphotoxin-Cg2a
著者Jordan, J.B.
登録日2018-02-22
公開日2018-05-16
実験手法SOLUTION NMR
主引用文献Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
6CNU
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BU of 6cnu by Molmil
Crystal Structure of JzTX-V
分子名称: BROMIDE ION, GLYCEROL, JzTx-V, ...
著者Min, X, Wang, Z.
登録日2018-03-09
公開日2019-03-06
最終更新日2020-03-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Discovery of Tarantula Venom-Derived NaV1.7-Inhibitory JzTx-V Peptide 5-Br-Trp24 Analogue AM-6120 with Systemic Block of Histamine-Induced Pruritis.
J. Med. Chem., 61, 2018
8HMP
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BU of 8hmp by Molmil
GPR52 with Gs and c17
分子名称: G-protein coupled receptor 52, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Chen, B, Xu, F.
登録日2022-12-05
公開日2023-06-21
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Allosteric coupling between G-protein binding and extracellular ligand binding sites in GPR52 revealed by 19 F-NMR and cryo-electron microscopy.
MedComm (2020), 4, 2023
6B2K
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BU of 6b2k by Molmil
E45A/R132T mutant of HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6CGW
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BU of 6cgw by Molmil
Solution NMR structure of JzTx-V, a Nav 1.7 inhibitory peptide
分子名称: Beta/kappa-theraphotoxin-Cg2a
著者Jordan, J.B, Andrews, K.
登録日2018-02-21
公開日2018-05-02
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022

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件を2024-06-12に公開中

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