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6ZTO
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BU of 6zto by Molmil
E. coli 70S-RNAP expressome complex in uncoupled state 1
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Webster, M.W, Takacs, M, Weixlbaumer, A.
登録日2020-07-20
公開日2020-09-23
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
6ZTN
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BU of 6ztn by Molmil
E. coli 70S-RNAP expressome complex in NusG-coupled state (42 nt intervening mRNA)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Webster, M.W, Takacs, M, Weixlbaumer, A.
登録日2020-07-20
公開日2020-09-16
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
6ZTM
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BU of 6ztm by Molmil
E. coli 70S-RNAP expressome complex in collided state without NusG
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Webster, M.W, Takacs, M, Weixlbaumer, A.
登録日2020-07-20
公開日2020-09-16
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
7C1E
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BU of 7c1e by Molmil
Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Y127W)
分子名称: Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wu, Y.F, Zhou, J.Y, Liu, Y.F, Xu, G.C, Ni, Y.
登録日2020-05-03
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Engineering an Alcohol Dehydrogenase from Kluyveromyces polyspora for Efficient Synthesis of Ibrutinib Intermediate
Adv.Synth.Catal., 2021
4QXW
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BU of 4qxw by Molmil
Crystal structure of the human CEACAM1 membrane distal amino terminal (N)-domain
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID, octyl beta-D-glucopyranoside
著者Huang, Y.H, Gandhi, A.K, Russell, A, Kondo, Y, Chen, Q, Petsko, G.A, Blumberg, R.S.
登録日2014-07-22
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献CEACAM1 regulates TIM-3-mediated tolerance and exhaustion.
Nature, 517, 2015
5N1Y
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BU of 5n1y by Molmil
HLA-A02 carrying MVWGPDPLYV
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
登録日2017-02-06
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J. Clin. Invest., 126, 2016
5UK5
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BU of 5uk5 by Molmil
Complex of Notch1(EGF8-12) bound to Jagged1(N-EGF3)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Garcia, K.C, Luca, V.C.
登録日2017-01-19
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Notch-Jagged complex structure implicates a catch bond in tuning ligand sensitivity.
Science, 355, 2017
7D7L
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BU of 7d7l by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155
分子名称: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ...
著者Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
登録日2020-10-04
公開日2021-04-21
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7D7K
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BU of 7d7k by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in apo form
分子名称: 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ...
著者Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
登録日2020-10-04
公開日2021-04-21
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7F3N
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BU of 7f3n by Molmil
Structure of PopP2 in apo form
分子名称: Type III effector protein popp2
著者Xia, Y, Zhang, Z.M.
登録日2021-06-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.351856 Å)
主引用文献Secondary-structure switch regulates the substrate binding of a YopJ family acetyltransferase.
Nat Commun, 12, 2021
8JWZ
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Crystal structure of A2AR-T4L in complex with AB928
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
著者Weng, Y, Chen, Y, Xu, Y, Song, G.
登録日2023-06-29
公開日2023-08-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8JWY
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Crystal structure of A2AR-T4L in complex with 2-118
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
著者Weng, Y, Chen, Y, Xu, Y, Song, G.
登録日2023-06-29
公開日2023-08-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8JF3
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BU of 8jf3 by Molmil
C-Src in complex with compound 9
分子名称: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src
著者Zhang, Z.M, Huang, H.S.
登録日2023-05-17
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.84647632 Å)
主引用文献Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
5YZ3
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BU of 5yz3 by Molmil
Crystal structure of T2R-TTL-28 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Yu, Y, Chen, Q.
登録日2017-12-12
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
6CU7
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BU of 6cu7 by Molmil
Alpha Synuclein fibril formed by full length protein - Rod Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6CU8
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Alpha Synuclein fibril formed by full length protein - Twister Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
7WO3
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SARS-CoV-2 3CLpro
分子名称: (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide, 3C-like proteinase
著者Wang, Y, Ye, S.
登録日2022-01-20
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WO1
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BU of 7wo1 by Molmil
Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific protein-ligand interactions
分子名称: 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide
著者Wang, Y, Ye, S.
登録日2022-01-20
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WOF
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SARS-CoV-2 3CLpro
分子名称: (2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
著者Wang, Y, Ye, S.
登録日2022-01-21
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WOH
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SARS-CoV-2 3CLpro
分子名称: (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide, 3C-like proteinase
著者Wang, Y, Ye, S.
登録日2022-01-21
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WO2
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SARS-CoV-2 3CLPro Peptidomimetic Inhibitor TPM5
分子名称: 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
著者Wang, Y, Ye, S.
登録日2022-01-20
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022

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