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5QTM
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BU of 5qtm by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-2639
分子名称: 1,2-ETHANEDIOL, 7-fluoroquinazolin-4(3H)-one, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2019-08-14
公開日2019-12-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QTS
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BU of 5qts by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 8J-537S
分子名称: 1,2-ETHANEDIOL, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3H)-one, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2019-08-14
公開日2019-12-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6GRU
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BU of 6gru by Molmil
Crystal structure of human NUDT5
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Fairhead, M, MacLean, E, Diaz Saez, L, Strain-Damerell, C, Elkins, J, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F, Structural Genomics Consortium (SGC)
登録日2018-06-12
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of human NUDT5
To Be Published
7NNJ
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BU of 7nnj by Molmil
Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105)
分子名称: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2, FORMIC ACID, ...
著者Dubianok, Y, Arruda Bezerra, G, Raux, B, Diaz Saez, L, Riley, A.M, Potter, B.V.L, Huber, K.V.M, von Delft, F.
登録日2021-02-24
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105)
To Be Published
8JFQ
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BU of 8jfq by Molmil
Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-back Loop
分子名称: 26mer-DNA
著者Liu, Y, Li, J, Zhang, Y, Wang, Y, Chen, J, Bian, Y, Xia, Y, Yang, M.H, Zheng, K, Wang, K.B, Kong, L.Y.
登録日2023-05-18
公開日2023-08-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-Back Loop.
J.Am.Chem.Soc., 145, 2023
7T7A
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BU of 7t7a by Molmil
Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein
分子名称: Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, NITRATE ION
著者Hajian, B, Lemke, C, Kwon, J, Bian, Y, Fuller, C, Aguirre, J.
登録日2021-12-14
公開日2022-05-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
7UPI
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BU of 7upi by Molmil
Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex
分子名称: CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ...
著者Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A.
登録日2022-04-15
公開日2022-05-04
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
3HGZ
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BU of 3hgz by Molmil
Crystal structure of human insulin-degrading enzyme in complex with amylin
分子名称: Insulin-degrading enzyme, Islet amyloid polypeptide, ZINC ION
著者Guo, Q, Bian, Y, Tang, W.J.
登録日2009-05-14
公開日2009-12-08
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme.
J.Mol.Biol., 395, 2010
2WK3
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BU of 2wk3 by Molmil
Crystal structure of human insulin-degrading enzyme in complex with amyloid-beta (1-42)
分子名称: BETA-AMYLOID PROTEIN 42, INSULIN DEGRADING ENZYME, ZINC ION
著者Guo, Q, Tang, W.J.
登録日2009-06-05
公開日2009-11-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Molecular Basis for the Recognition and Cleavages of Igf-II, Tgf-Alpha, and Amylin by Human Insulin Degrading Enzyme.
J.Mol.Biol., 395, 2010
7EIL
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BU of 7eil by Molmil
BRD4-BD1 in complex with LT-909-110
分子名称: Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy
Eur.J.Med.Chem., 227, 2022
3E50
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BU of 3e50 by Molmil
Crystal structure of human insulin degrading enzyme in complex with transforming growth factor-alpha
分子名称: Insulin-degrading enzyme, Protransforming growth factor alpha, ZINC ION
著者Guo, Q, Manolopoulou, M, Tang, W.-J.
登録日2008-08-12
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme.
J.Mol.Biol., 395, 2010
3E4Z
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BU of 3e4z by Molmil
Crystal structure of human insulin degrading enzyme in complex with insulin-like growth factor II
分子名称: Insulin-degrading enzyme, Insulin-like growth factor II, ZINC ION
著者Guo, Q, Manolopoulou, M, Tang, W.-J.
登録日2008-08-12
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme.
J.Mol.Biol., 395, 2010
7X08
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BU of 7x08 by Molmil
S protein of SARS-CoV-2 in complex with 2G1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-21
公開日2022-03-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
5Z15
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BU of 5z15 by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9c
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-12-25
公開日2018-07-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State
To Be Published
5WYZ
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BU of 5wyz by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-01-16
公開日2017-12-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
5Z14
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BU of 5z14 by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9a
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-12-25
公開日2018-07-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State
To Be Published
5WYX
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BU of 5wyx by Molmil
Crystal structure of human TLR8 in complex with CU-CPT8m
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-01-16
公開日2017-12-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
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