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5DEU
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BU of 5deu by Molmil
Crystal structure of TET2-5hmC complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*AP*CP*CP*AP*CP*(5HC)P*GP*GP*TP*GP*GP*T)-3'), ...
著者Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y.
登録日2015-08-26
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
6E83
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BU of 6e83 by Molmil
Solution structure of ZZZ3 ZZ domain in complex with histone H3 tail
分子名称: Histone H3, ZINC ION, ZZ-type zinc finger-containing protein 3
著者Zhang, Y, Kutateladze, T.G.
登録日2018-07-27
公開日2018-09-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The ZZ-type zinc finger of ZZZ3 modulates the ATAC complex-mediated histone acetylation and gene activation.
Nat Commun, 9, 2018
5XNV
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BU of 5xnv by Molmil
Crystal structure of YEATS2 YEATS bound to H3K27ac peptide
分子名称: ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, AMMONIUM ION, CHLORIDE ION, ...
著者Li, H.T, Guan, H.P, Zhao, D.
登録日2017-05-24
公開日2017-11-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献YEATS2 links histone acetylation to tumorigenesis of non-small cell lung cancer.
Nat Commun, 8, 2017
8HRD
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BU of 8hrd by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ...
著者Zhao, R.C, Wu, L.L, Han, P.
登録日2022-12-15
公開日2023-12-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
9LUG
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BU of 9lug by Molmil
Crystal structure of SARS-Cov-2 main protease E166V mutant in complex with Bofutrelvir
分子名称: ORF1a polyprotein, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhou, X.L, Li, J.
登録日2025-02-08
公開日2025-04-09
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
9LUF
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BU of 9luf by Molmil
Crystal structure of SARS-Cov-2 main protease S144A mutant in complex with Bofutrelvir
分子名称: ORF1a polyprotein, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhou, X.L, Li, J.
登録日2025-02-08
公開日2025-04-09
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
7NAM
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BU of 7nam by Molmil
LRP6_E1 in complex with Lr-EET-3.5
分子名称: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
著者Hansen, S, Hannoush, R.N.
登録日2021-06-21
公開日2022-06-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
7FIV
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BU of 7fiv by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis)
分子名称: CidA_I gamma/2 protein, CidB_I b/2 protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIW
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BU of 7fiw by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel)
分子名称: ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIU
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BU of 7fiu by Molmil
Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel
分子名称: ULP_PROTEASE domain-containing protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIT
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BU of 7fit by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel
分子名称: bacteria factor 1
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
9LFU
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BU of 9lfu by Molmil
Crystal structure of human RIP3 kinase domain complexed with LK01003
分子名称: 2-cyclopentyl-~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2025-01-09
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9LVG
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BU of 9lvg by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with Robinetin
分子名称: 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2025-02-12
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Identification of RIPK3 as a target of flavonoids for anti-necroptosis in vitro.
Bioorg.Chem., 161, 2025
9LFW
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BU of 9lfw by Molmil
Crystal structure of mouse RIP3 kinase domain(R69H) complexed with LK01003
分子名称: 2-cyclopentyl-~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2025-01-09
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9LFV
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BU of 9lfv by Molmil
Crystal structure of mouse RIP3 kinase domain complexed with LK01004
分子名称: 3-[2-[(2~{R})-butan-2-yl]-1,3-benzothiazol-5-yl]-1-~{tert}-butyl-pyrazolo[3,4-d]pyrimidin-4-amine, 3-[2-[(2~{S})-butan-2-yl]-1,3-benzothiazol-5-yl]-1-~{tert}-butyl-pyrazolo[3,4-d]pyrimidin-4-amine, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2025-01-09
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9LVH
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BU of 9lvh by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with Tricetin
分子名称: 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2025-02-12
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Identification of RIPK3 as a target of flavonoids for anti-necroptosis in vitro.
Bioorg.Chem., 161, 2025
8HQI
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BU of 8hqi by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Li, W.W, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
8HQG
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BU of 8hqg by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Wang, J, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
8HQH
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BU of 8hqh by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zou, X.F, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
8HQJ
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BU of 8hqj by Molmil
Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
8HQF
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BU of 8hqf by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with inhibitor YH-53
分子名称: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Non-structural protein 7
著者Zeng, P, Zhang, J, Li, J.
登録日2022-12-13
公開日2024-01-31
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
5XTZ
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BU of 5xtz by Molmil
Crystal structure of GAS41 YEATS bound to H3K27ac peptide
分子名称: ACETATE ION, THR-LYS-ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, YEATS domain-containing protein 4
著者Li, H.T, Zhao, D.
登録日2017-06-21
公開日2018-06-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Gas41 links histone acetylation to H2A.Z deposition and maintenance of embryonic stem cell identity.
Cell Discov, 4, 2018
5XA6
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BU of 5xa6 by Molmil
Ion channel modulation by scorpion haemolymph and its defensin ingredients uncovers origin of neurotoxins in telson formed in Paleozoic scorpion
分子名称: BmKDfsin3
著者Tian, C, Wu, Y, Meng, L, Qu, D.
登録日2017-03-11
公開日2018-03-14
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Ion channel modulation by scorpion haemolymph and its defensin ingredients uncovers origin of neurotoxins in telson formed in Paleozoic scorpion
To Be Published
1TY4
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BU of 1ty4 by Molmil
Crystal structure of a CED-9/EGL-1 complex
分子名称: Apoptosis regulator ced-9, EGg Laying defective EGL-1, programmed cell death activator
著者Yan, N, Gu, L, Kokel, D, Xue, D, Shi, Y.
登録日2004-07-07
公開日2004-09-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural, Biochemical, and Functional Analyses of CED-9 Recognition by the Proapoptotic Proteins EGL-1 and CED-4
Mol.Cell, 15, 2004
9E9H
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BU of 9e9h by Molmil
Crystal structure of human KRAS G12C covalently bound to DEL triazine compound 5
分子名称: (3S)-N,5-dimethyl-3-({4-[3-(morpholin-4-yl)phenyl]-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-1,3,5-triazin-2-yl}amino)hexanamide, CALCIUM ION, GTPase KRas, ...
著者Mohr, C.
登録日2024-11-08
公開日2025-02-26
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of Structurally Novel KRAS G12C Inhibitors through Covalent DNA-Encoded Library Screening.
J.Med.Chem., 68, 2025

238582

件を2025-07-09に公開中

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