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5Z5U
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BU of 5z5u by Molmil
The first bromodomain of BRD4 with compound BDF-2254
分子名称: 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
6K81
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BU of 6k81 by Molmil
Crystal structure of human VASH1-SVBP complex
分子名称: Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
著者Liu, X, Wang, H, Zhang, Y, Feng, Y.
登録日2019-06-11
公開日2020-02-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural insights into tubulin detyrosination by vasohibins-SVBP complex.
Cell Discov, 5, 2019
5V3Q
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BU of 5v3q by Molmil
Human GSTO1-1 complexed with ML175
分子名称: Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, SULFATE ION
著者Oakley, A.J.
登録日2017-03-07
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity.
Sci Rep, 7, 2017
4RAK
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BU of 4rak by Molmil
Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed with partial agonist
分子名称: 1,4-BUTANEDIOL, 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol, Oxysterols receptor LXR-beta
著者Nanao, M.
登録日2014-09-10
公開日2014-12-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Liver X Receptor (LXR) partial agonists: Biaryl pyrazoles and imidazoles displaying a preference for LXR beta.
Bioorg.Med.Chem.Lett., 25, 2015
5XMC
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BU of 5xmc by Molmil
Crystal structure of the auto-inhibited Nedd4 family E3 ligase Itch
分子名称: E3 ubiquitin-protein ligase Itchy
著者Shan, Z, Wen, W.
登録日2017-05-13
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric auto-inhibition and activation of the Nedd4 family E3 ligase Itch
EMBO Rep., 18, 2017
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
分子名称: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
著者Jiang, H, Luo, C.
登録日2017-07-21
公開日2017-11-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
7XCI
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BU of 7xci by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron RBD in complex with human ACE2 ectodomain (local refinement)
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, Processed angiotensin-converting enzyme 2, ...
著者Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
登録日2022-03-24
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
7XCH
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BU of 7xch by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with human ACE2 ectodomain (two-RBD-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
登録日2022-03-24
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
7XCK
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BU of 7xck by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron RBD in complex with S309 fab (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ...
著者Gao, G.F, Qi, J.X, Zhao, Z.N, Xie, Y.F, Liu, S.
登録日2022-03-24
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
7YA0
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BU of 7ya0 by Molmil
Cryo-EM structure of hACE2-bound SARS-CoV-2 Omicron spike protein with L371S, P373S and F375S mutations (S-6P-RRAR)
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, Processed angiotensin-converting enzyme 2, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-06-26
公開日2022-09-21
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7YAD
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BU of 7yad by Molmil
Cryo-EM structure of S309-RBD-RBD-S309 in the S309-bound Omicron spike protein (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, S309 neutralizing antibody light chain, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, F.
登録日2022-06-27
公開日2022-08-31
最終更新日2022-09-07
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7YA1
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BU of 7ya1 by Molmil
Cryo-EM structure of hACE2-bound SARS-CoV-2 Omicron spike protein with L371S, P373S and F375S mutations (local refinement)
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, Angiotensin-converting enzyme 2, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-06-27
公開日2022-08-31
最終更新日2022-09-07
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7Y9S
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BU of 7y9s by Molmil
Cryo-EM structure of apo SARS-CoV-2 Omicron spike protein (S-2P-GSAS)
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, Spike glycoprotein
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-06-26
公開日2022-08-31
最終更新日2022-09-07
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7XCO
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BU of 7xco by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with S309 fab
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, S309 Fab heavy chain, ...
著者Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
登録日2022-03-24
公開日2022-09-21
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
7YHW
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BU of 7yhw by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2.12.1 RBD in complex with human ACE2 (local refinement)
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-07-14
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YJ3
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BU of 7yj3 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with human ACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-07-19
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7X1M
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BU of 7x1m by Molmil
The complex structure of Omicron BA.1 RBD with BD604, S309,and S304
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab heavy chain, BD-604 Fab light chain, ...
著者Huang, M, Xie, Y.F, Qi, J.X.
登録日2022-02-24
公開日2022-07-06
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Atlas of currently available human neutralizing antibodies against SARS-CoV-2 and escape by Omicron sub-variants BA.1/BA.1.1/BA.2/BA.3.
Immunity, 55, 2022
5J0A
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BU of 5j0a by Molmil
Crystal structure of PDZ-binding kinase
分子名称: 4'-HYDROXYCINNAMIC ACID, Lymphokine-activated killer T-cell-originated protein kinase, SULFATE ION
著者Zou, Q.W, Zhou, H, Yang, X.
登録日2016-03-28
公開日2016-09-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献The crystal structure of an inactive dimer of PDZ-binding kinase
Biochem.Biophys.Res.Commun., 476, 2016
8FJN
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BU of 8fjn by Molmil
Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - C2221 space group
分子名称: CALCIUM ION, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
著者Frisbie, V.S, Hashimoto, H, Debler, E.W.
登録日2022-12-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase
To Be Published
8FJM
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BU of 8fjm by Molmil
Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - P212121 space group
分子名称: ACETATE ION, CALCIUM ION, Histone-lysine N-methyltransferase, ...
著者Frisbie, V.S, Hashimoto, H, Debler, E.W.
登録日2022-12-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase
To Be Published
8GQC
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BU of 8gqc by Molmil
Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.35 angstrom resolution)
分子名称: Papain-like protease nsp3
著者Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
登録日2022-08-30
公開日2023-07-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target.
Nat Commun, 14, 2023
8HBL
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BU of 8hbl by Molmil
Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.58 angstrom resolution)
分子名称: GLYCEROL, LITHIUM ION, Non-structural protein 3, ...
著者Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
登録日2022-10-29
公開日2023-07-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target.
Nat Commun, 14, 2023
7DD2
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BU of 7dd2 by Molmil
S-3C1-F2 structure, two RBDs are up and one RBD is down, the two up RBD bind with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-27
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK4
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BU of 7dk4 by Molmil
S-2H2-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DDN
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BU of 7ddn by Molmil
SARS-Cov2 S protein at open state
分子名称: Spike glycoprotein
著者Cong, Y, Liu, C.X.
登録日2020-10-29
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021

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