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7XST
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BU of 7xst by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike glycoprotein in complex with three F61 Fab and three D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
著者Wang, X, Li, X.
登録日2022-05-15
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
5XS9
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BU of 5xs9 by Molmil
Crystal structure of Mycobacterium smegmatis BioQ
分子名称: TetR family transcriptional regulator
著者Zhang, Y, Ji, Q, Feng, Y.
登録日2017-06-13
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of BioQ suggests a distinct regulatory mechanism for biotin, a nutritional virulence factor in Mycobacterium
To Be Published
6J67
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BU of 6j67 by Molmil
Crystal structure of the compound 34 in a complex with TRF2
分子名称: 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2
著者Chen, Y, Yang, Y, Lei, M.
登録日2019-01-14
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018
5YHY
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BU of 5yhy by Molmil
Structure of Lactococcus lactis ZitR, C30S mutant
分子名称: ZINC ION, Zinc transport transcriptional regulator
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
6JBQ
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BU of 6jbq by Molmil
CryoEM structure of Escherichia coli sigmaE transcription initiation complex containing 5nt of RNA
分子名称: DNA (48-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Fang, C.L, Zhang, Y.
登録日2019-01-26
公開日2019-05-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献Structures and mechanism of transcription initiation by bacterial ECF factors.
Nucleic Acids Res., 47, 2019
5YHZ
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BU of 5yhz by Molmil
Structure of Lactococcus lactis ZitR, E41A mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ZINC ION, ...
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
5YI3
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BU of 5yi3 by Molmil
Structure of Lactococcus lactis ZitR, C30S mutant in complex with DNA
分子名称: DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
8AO8
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BU of 8ao8 by Molmil
Specific covalent inhibitor(9) of ERK2
分子名称: 1,2-ETHANEDIOL, 1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one, Mitogen-activated protein kinase 1, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2023-05-24
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO6
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BU of 8ao6 by Molmil
electrophilic inhibitor (7) of ERK2
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.811 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOB
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BU of 8aob by Molmil
Specific covalent inhibitor(12) of ERK2
分子名称: DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.623 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO5
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BU of 8ao5 by Molmil
Specific covalent inhibitor (6) of ERK2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOF
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BU of 8aof by Molmil
Specific covalent inhibitor(16) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.615 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO4
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BU of 8ao4 by Molmil
Specific covalent inhibitor (5) of ERK2
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOJ
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BU of 8aoj by Molmil
Specific covalent inhibitor of ERK2
分子名称: 1,2-ETHANEDIOL, 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one, DIMETHYL SULFOXIDE, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO3
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BU of 8ao3 by Molmil
Specific covalent inhibitor of ERK2
分子名称: 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.778 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO9
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BU of 8ao9 by Molmil
Specific covalent inhibitor(10) of ERK2
分子名称: 1,2-ETHANEDIOL, 1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one, DI(HYDROXYETHYL)ETHER, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOC
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BU of 8aoc by Molmil
Specific covalent inhibitor of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOA
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BU of 8aoa by Molmil
Covalent and non-covalent inhibitor of ERK2 (two sites)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOG
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BU of 8aog by Molmil
Non-specific covalent inhibitor(17) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOH
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BU of 8aoh by Molmil
Specific covalent inhibitor(18) of ERK2
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOI
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BU of 8aoi by Molmil
Specific covalent inhibitor(19) of ERK2
分子名称: 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO2
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BU of 8ao2 by Molmil
Specific covalent inhibitor (3) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOD
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BU of 8aod by Molmil
Specific covalent inhibitor(14) of ERK2
分子名称: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO7
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BU of 8ao7 by Molmil
Specific covalent inhibitor (8) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOE
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Specific covalent inhibitor(15) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2023-05-24
実験手法X-RAY DIFFRACTION (1.687 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022

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