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7WVP
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BU of 7wvp by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein with human ACE2 receptor, C2 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Han, W.Y, Wang, Y.F.
登録日2022-02-10
公開日2022-04-06
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
8F22
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BU of 8f22 by Molmil
HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
分子名称: Capsid protein p24, Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
著者Barnett, M.J, Goldstone, D.C.
登録日2022-11-06
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a benzosulfonamide based inhibitor - bound to a disulfide stabilised HIV-1 capsid hexamer
Biorxiv, 2023
3EFK
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BU of 3efk by Molmil
Structure of c-Met with pyrimidone inhibitor 50
分子名称: 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
著者Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I.
登録日2008-09-09
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
7D9O
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BU of 7d9o by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2
分子名称: (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
5CSD
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BU of 5csd by Molmil
Ligand binding domain 2 of Penicillium marneffei MP1 protein in complex with arachidonic acids
分子名称: ARACHIDONIC ACID, Envelope glycoprotein, GLYCEROL
著者Lam, W.H, Zhang, H, Hao, Q.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Talaromyces marneffei Mp1p Is a Virulence Factor that Binds and Sequesters a Key Proinflammatory Lipid to Dampen Host Innate Immune Response
Cell Chem Biol, 24, 2017
5E7X
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Ligand binding domain 1 of Penicillium marneffei MP1 protein in complex with palmitic acid
分子名称: ACETATE ION, Cell wall antigen, GLYCEROL, ...
著者Lam, W.H, Zhang, H, Hao, Q.
登録日2015-10-13
公開日2016-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Talaromyces marneffeiMp1 protein, a novel virulence factor, carries two arachidonic acid-binding domains to suppress inflammatory responses in hosts.
Infect. Immun., 2019
5ECF
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Ligand binding domain 1 of Penicillium marneffei MP1 protein complexed with arachidonic acids
分子名称: ARACHIDONIC ACID, Cell wall antigen
著者Lam, W.H, Zhang, H, Hao, Q.
登録日2015-10-20
公開日2016-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Talaromyces marneffeiMp1 protein, a novel virulence factor, carries two arachidonic acid-binding domains to suppress inflammatory responses in hosts
Infect. Immun., 2019
5WJK
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2.0-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb) at 293 K
分子名称: CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Broecker, J, Ou, W.-L, Ernst, O.P.
登録日2017-07-23
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
7D9P
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Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12
分子名称: (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9Q
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BU of 7d9q by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7
分子名称: (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
5WKT
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BU of 5wkt by Molmil
3.2-Angstrom In situ Mylar structure of bovine opsin at 100 K
分子名称: Rhodopsin, SULFATE ION, Transducin Galpha peptide, ...
著者Broecker, J, Morizumi, T, Ou, W.-L, Ernst, O.P.
登録日2017-07-25
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
2LMZ
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BU of 2lmz by Molmil
Solution NMR structure of the novel conotoxin im23a from Conus imperialis
分子名称: Conotoxin im17a
著者Khoo, K.K, Galea, C.A, Boonyalai, N, Norton, R.S.
登録日2011-12-15
公開日2012-03-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A helical conotoxin from Conus imperialis has a novel cysteine framework and defines a new superfamily.
J.Biol.Chem., 287, 2012
2Q7M
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BU of 2q7m by Molmil
Crystal structure of human FLAP with MK-591
分子名称: 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein
著者Ferguson, A.D.
登録日2007-06-07
公開日2007-08-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.25 Å)
主引用文献Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein.
Science, 317, 2007
2Q7R
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BU of 2q7r by Molmil
Crystal structure of human FLAP with an iodinated analog of MK-591
分子名称: 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein
著者Ferguson, A.D.
登録日2007-06-07
公開日2007-08-21
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein.
Science, 317, 2007
7X7D
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BU of 7x7d by Molmil
SARS-CoV-2 Delta RBD and Nb22
分子名称: Nb22, Spike protein S1
著者Wang, Y, Ye, S.
登録日2022-03-09
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
7X7E
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BU of 7x7e by Molmil
SARS-CoV-2 RBD and Nb22
分子名称: Nb22, Spike protein S1, TETRAETHYLENE GLYCOL
著者Wang, Y, Ye, S.
登録日2022-03-09
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
5XSN
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BU of 5xsn by Molmil
The catalytic domain of GdpP with c-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides
著者Wang, F, Gu, L.
登録日2017-06-14
公開日2018-01-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
7VXA
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BU of 7vxa by Molmil
SARS-CoV-2 Kappa variant spike protein in complex with ACE2, state C2a
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-11-24
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VX9
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BU of 7vx9 by Molmil
SARS-CoV-2 Kappa variant spike protein in complex wth ACE2, state C1
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-11-24
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VX1
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BU of 7vx1 by Molmil
SARS-CoV-2 Beta variant spike protein in open state
分子名称: Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-11-24
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXE
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BU of 7vxe by Molmil
SARS-CoV-2 Kappa variant spike protein in open state
分子名称: Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-01
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXC
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SARS-CoV-2 Kappa variant spike protein in C3 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXM
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SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C3 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2022-01-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
5XSI
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BU of 5xsi by Molmil
The catalytic domain of GdpP
分子名称: MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides
著者Wang, F, Gu, L.
登録日2017-06-14
公開日2018-01-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
5XSP
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The catalytic domain of GdpP with 5'-pApA
分子名称: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides
著者Wang, F, Gu, L.
登録日2017-06-15
公開日2018-01-31
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.146 Å)
主引用文献Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018

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