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7DDZ
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BU of 7ddz by Molmil
The Crystal Structure of Human Neuropeptide Y Y2 Receptor with JNJ-31020028
分子名称: FLAVIN MONONUCLEOTIDE, Human Neuropeptide Y Y2 Receptor fusion protein, ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
著者Tang, T, Han, S, Zhao, Q, Wu, B.
登録日2020-10-30
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for ligand recognition of the neuropeptide Y Y 2 receptor.
Nat Commun, 12, 2021
7DDD
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BU of 7ddd by Molmil
SARS-Cov2 S protein at close state
分子名称: Spike glycoprotein
著者Cong, Y, Liu, C.X.
登録日2020-10-28
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (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
7DK7
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BU of 7dk7 by Molmil
S-2H2-F3b structure, three RBDs are up and each RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain fragment of 2H2 Fab, The light chain fragment 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 (9.7 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
7DCX
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BU of 7dcx by Molmil
S-3C1-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab that binds with the up RBD, 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 (5.9 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
1P5T
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BU of 1p5t by Molmil
Crystal Structure of Dok1 PTB Domain
分子名称: Docking protein 1
著者Shi, N, Ye, S, Liu, Y, Zhou, W, Ding, Y, Lou, Z, Qiang, B, Yuan, J, Rao, Z.
登録日2003-04-28
公開日2004-02-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for the Specific Recognition of RET by the Dok1 Phosphotyrosine Binding Domain
J.BIOL.CHEM., 279, 2004
5WXB
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BU of 5wxb by Molmil
crystal structure of ZIKV MTase in complex with SAH
分子名称: MRNA cap 0-1 NS5-type MT, S-ADENOSYL-L-HOMOCYSTEINE
著者Yang, H, Wang, L, Zhou, H.
登録日2017-01-07
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献The conformational changes of Zika virus methyltransferase upon converting SAM to SAH
Oncotarget, 8, 2017
6DQ4
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BU of 6dq4 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ9
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BU of 6dq9 by Molmil
Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
分子名称: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQD
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献To be determined
To Be Published
5XDM
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BU of 5xdm by Molmil
Structure of the C-terminal domain of E. coli MinC at 3.0 angstrom resolution
分子名称: Septum site-determining protein MinC
著者Zheng, J, Shen, Q, Yang, S.
登録日2017-03-28
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Characterization of C-terminal structure of MinC and its implication in evolution of bacterial cell division
Sci Rep, 7, 2017
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献To be determined
To Be Published
5HGU
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BU of 5hgu by Molmil
Crystal structure of human transcription factor TEAD2 in complex with palmitate
分子名称: PALMITIC ACID, Transcriptional enhancer factor TEF-4
著者Luo, X, Xiao, H.
登録日2016-01-08
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Autopalmitoylation of TEAD proteins regulates transcriptional output of the Hippo pathway.
Nat.Chem.Biol., 12, 2016
8OWV
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BU of 8owv by Molmil
H6 and F2 nanobodies bound to SARS-CoV-2 spike RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2, GLYCEROL, ...
著者Mikolajek, H, Naismith, J.H, Owens, R.J.
登録日2023-04-28
公開日2024-05-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OYU
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BU of 8oyu by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '2 up 1 down' RBD conformation
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, H6 nanobody, ...
著者Weckener, M, Naismith, J.H, Owens, R.J.
登録日2023-05-05
公開日2024-05-15
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OYT
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BU of 8oyt by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '3 up' RBD conformation
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, H6 nanobody, ...
著者Weckener, M, Naismith, J.H, Owens, R.J.
登録日2023-05-05
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OWT
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BU of 8owt by Molmil
SARS-CoV-2 spike RBD with A8 and H3 nanobodies bound
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody A8, ...
著者Mikolajek, H, Naismith, J.H, Owens, R.J.
登録日2023-04-28
公開日2024-05-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OWW
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BU of 8oww by Molmil
B5-5 nanobody bound to SARS-CoV-2 spike RBD (Wuhan)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, B5-5 nanobody, ...
著者Cornish, K.A.S, Naismith, J.H, Owens, R.J.
登録日2023-04-28
公開日2024-05-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
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Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
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Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
8YY8
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BU of 8yy8 by Molmil
Fzd7 -Gs complex
分子名称: Frizzled-7, 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, L, Han, G.W, Xu, F.
登録日2024-04-03
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Cryo-EM structure of constitutively active human Frizzled 7 in complex with heterotrimeric G s .
Cell Res., 31, 2021
8DWB
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BU of 8dwb by Molmil
Neuraminidase from influenza virus A/Moscow/10/1999(H3N2) in complex with sialic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ...
著者Lei, R, Hernandez Garcia, A.
登録日2022-08-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Mutational fitness landscape of human influenza H3N2 neuraminidase.
Cell Rep, 42, 2023
6LNK
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BU of 6lnk by Molmil
Candida albicans Fructose-1,6-bisphosphate aldolase
分子名称: 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION
著者Huang, Y, Cao, H, Ren, Y, Wan, J.
登録日2019-12-30
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
6B5V
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BU of 6b5v by Molmil
Structure of TRPV5 in complex with econazole
分子名称: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, CALCIUM ION, Transient receptor potential cation channel subfamily V member 5
著者Hughes, T.E.T, Lodowski, D.T, Huynh, K.W, Yazici, A, del Rosario, J, Kapoor, A, Basak, S, Samanta, A, Chakrapani, S, Zhou, Z.H, Filizola, M, Rohacs, T, Han, S, Moiseenkova-Bell, V.Y.
登録日2017-09-29
公開日2017-12-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structural basis of TRPV5 channel inhibition by econazole revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
6VN2
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BU of 6vn2 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 18
分子名称: 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020

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