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6C91
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BU of 6c91 by Molmil
Structure of GRP94 with a resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol, Endoplasmin, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-01-25
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
8K46
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A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
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Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
登録日2023-07-17
公開日2023-12-13
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K47
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A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
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Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
登録日2023-07-17
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K45
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A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
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, Nb4 nanobody, ...
著者Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
登録日2023-07-17
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8KAE
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BU of 8kae by Molmil
16d-bound human SPNS2
分子名称: 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, NbFab chain L, NbFab-H chain, ...
著者He, Y, Duan, Y.
登録日2023-08-03
公開日2024-01-03
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
8K3K
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BU of 8k3k by Molmil
The crystal structure of nanobody Nb4 in complex with receptor binding domain (RBD) of BA.1 Spike protein
分子名称: Nanobody Nb4, Spike protein S1
著者Wang, H.Y, Xu, W.Q.
登録日2023-07-16
公開日2024-01-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
6LYC
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BU of 6lyc by Molmil
Crystal structure of the NOD SIRPa complex with D4-2
分子名称: ACETIC ACID, D4-2, SIRPa of the NOD mouse strain
著者Murata, Y, Matsuda, M, Nakagawa, A, Matozaki, T.
登録日2020-02-14
公開日2020-07-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Macrocyclic Peptide-Mediated Blockade of the CD47-SIRP alpha Interaction as a Potential Cancer Immunotherapy.
Cell Chem Biol, 27, 2020
5H3R
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BU of 5h3r by Molmil
Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA
分子名称: DNA (5'-D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)-3'), Multiple antibiotic resistance protein MarR
著者Zhu, R, Lou, H, Hao, Z.
登録日2016-10-26
公開日2017-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural characterization of the DNA-binding mechanism underlying the copper(II)-sensing MarR transcriptional regulator.
J. Biol. Inorg. Chem., 22, 2017
8H0Z
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BU of 8h0z by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 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, BILIVERDINE IX ALPHA, ...
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
分子名称: 3C-like proteinase
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-08-29
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-ACE2
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Wei, X, Zhang, Z.
登録日2023-09-22
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
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Wei, X, Zhang, Z.
登録日2023-09-22
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
7F5W
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BU of 7f5w by Molmil
Conserved and divergent strigolactone signaling in Saccharum spontaneum
分子名称: High tillering and dwarf 2 protein
著者Zhao, Q.Q, Ming, Z.H.
登録日2021-06-23
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.654 Å)
主引用文献Identification of Conserved and Divergent Strigolactone Receptors in Sugarcane Reveals a Key Residue Crucial for Plant Branching Control.
Front Plant Sci, 12, 2021
7CDI
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BU of 7cdi by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
5JLY
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BU of 5jly by Molmil
Structure of Peroxiredoxin-1 from Schistosoma japonicum
分子名称: Thioredoxin peroxidase-1
著者Wu, Q, Huang, F, Zeng, D, Liu, X, Zhao, J, Wang, H, Peng, Y, Li, P, Li, Y.
登録日2016-04-27
公開日2017-05-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.051 Å)
主引用文献Crystal structure of Peroxiredoxin-1 from Schistosoma japonicum
To Be Published
7W9N
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BU of 7w9n by Molmil
THE STRUCTURE OF OBA33-OTA COMPLEX
分子名称: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, OTA DNA APTAMER (33-MER)
著者Xu, G.H, Li, C.G.
登録日2021-12-10
公開日2022-01-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Insights into the Mechanism of High-Affinity Binding of Ochratoxin A by a DNA Aptamer.
J.Am.Chem.Soc., 144, 2022
2JG4
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BU of 2jg4 by Molmil
Substrate-free IDE structure in its closed conformation
分子名称: 1,4-DIETHYLENE DIOXIDE, INSULIN DEGRADING ENZYME, ZINC ION
著者Malito, E, Tang, W.J.
登録日2007-02-07
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Substrate-Free Human Insulin Degrading Enzyme (Ide) and Biophysical Analysis of ATP-Induced Conformational Switch of Ide
J.Biol.Chem., 282, 2007
7CDJ
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BU of 7cdj by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
2JBU
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BU of 2jbu by Molmil
Crystal structure of human insulin degrading enzyme complexed with co- purified peptides.
分子名称: 1,4-DIETHYLENE DIOXIDE, CO-PURIFIED PEPTIDE, INSULIN-DEGRADING ENZYME
著者Im, H, Shen, Y, Tang, W.J.
登録日2006-12-11
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Substrate-Free Human Insulin Degrading Enzyme (Ide) and Biophysical Analysis of ATP-Induced Conformational Switch of Ide
J.Biol.Chem., 282, 2007
4J01
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BU of 4j01 by Molmil
Crystal Structure of Fischerella Transcription Factor HetR complexed with 29mer DNA target
分子名称: DNA (29-MER), SULFATE ION, Transcription Factor HetR
著者Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG)
登録日2013-01-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.246 Å)
主引用文献Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IZZ
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BU of 4izz by Molmil
Crystal Structure of Fischerella Transcription Factor HetR complexed with 21mer DNA target
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*AP*AP*CP*CP*CP*CP*TP*CP*AP*C)-3'), SULFATE ION, ...
著者Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG)
登録日2013-01-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets.
Proc.Natl.Acad.Sci.USA, 110, 2013
4J00
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BU of 4j00 by Molmil
Crystal Structure of Fischerella Transcription Factor HetR complexed with 24mer DNA target
分子名称: DNA (5'-D(*TP*GP*GP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*AP*AP*CP*CP*CP*CP*TP*CP*AP*CP*C)-3'), MAGNESIUM ION, Transcription Factor HetR
著者Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG)
登録日2013-01-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets.
Proc.Natl.Acad.Sci.USA, 110, 2013
5Y2F
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BU of 5y2f by Molmil
Human SIRT6 in complex with allosteric activator MDL-801
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ...
著者Zhang, J, Huang, Z, Song, K.
登録日2017-07-25
公開日2018-11-07
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification of a cellularly active SIRT6 allosteric activator.
Nat. Chem. Biol., 14, 2018
7E5X
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BU of 7e5x by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE apo form at 2.2 angstrom
分子名称: 3C-like proteinase
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-02-21
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVP
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BU of 7dvp by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate
分子名称: 3C-like proteinase, nsp4/5 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-14
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022

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