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5YYF
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BU of 5yyf by Molmil
Crystal structure of AF9 YEATS domain in complex with a peptide inhibitor "PHQ-H3(Q5-K9)" modified at K9 with 2-furancarboyl group
分子名称: 2-FUROIC ACID, Peptide inhibitor PHQ-H3(Q5-K9), Protein AF-9, ...
著者Li, Y, Li, H.
登録日2017-12-09
公開日2018-11-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure-guided development of YEATS domain inhibitors by targeting pi-pi-pi stacking.
Nat. Chem. Biol., 14, 2018
6IPY
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BU of 6ipy by Molmil
His-tagged Fyn SH3 domain R96I mutant
分子名称: Tyrosine-protein kinase Fyn
著者Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
登録日2018-11-05
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.343 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
6IPZ
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BU of 6ipz by Molmil
Fyn SH3 domain R96W mutant, crystallized with 18-crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Tyrosine-protein kinase Fyn
著者Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
登録日2018-11-05
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.576 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
7MJU
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BU of 7mju by Molmil
Crystal structure of human AF10 PZP bound to histone H3 tail
分子名称: Histone H3.1,Protein AF-10, ZINC ION
著者Klein, B.J, Kutateladze, T.G.
登録日2021-04-20
公開日2021-08-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of the PZP domain of AF10 in acute leukemia driven by AF10 translocations.
Nat Commun, 12, 2021
6KN1
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BU of 6kn1 by Molmil
P20/P12 of caspase-11 mutant C254A
分子名称: Caspase-4
著者Ding, J, Sun, Q.
登録日2019-08-02
公開日2020-03-11
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KN0
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BU of 6kn0 by Molmil
caspase-1 P20/P10 C285A in complex with human GSDMD-C domain
分子名称: Caspase-1, Gasdermin-D
著者Ding, J, Sun, Q.
登録日2019-08-02
公開日2020-03-11
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMZ
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BU of 6kmz by Molmil
caspase-4 P22/P10 C258A in complex with human GSDMD-C domain
分子名称: Caspase-4, Gasdermin-D
著者Ding, J, Sun, Q.
登録日2019-08-01
公開日2020-03-11
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMU
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BU of 6kmu by Molmil
P22/P10 complex of caspase-11 mutant C254A
分子名称: Caspase-4
著者Ding, J, Sun, Q.
登録日2019-08-01
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMT
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BU of 6kmt by Molmil
P32 of caspase-11 mutant C254A
分子名称: Caspase-4
著者Ding, J, Sun, Q.
登録日2019-08-01
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMV
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BU of 6kmv by Molmil
caspase-11 C254A P22/P10 in complex with mouse GSDMD-C domain
分子名称: Caspase-4, Gasdermin-D
著者Ding, J, Sun, Q.
登録日2019-08-01
公開日2020-03-11
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
8X8O
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BU of 8x8o by Molmil
Cryo-EM structure of a bacteriophage tail- spike protein against Klebsiella pneumoniae K64,ORF41(K64-ORF41) in 5 mM EDTA
分子名称: Probable tail spike protein
著者Xie, Y, Huang, T, Zhang, Z, Tao, X.
登録日2023-11-27
公開日2024-09-04
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural and functional basis of bacteriophage K64-ORF41 depolymerase for capsular polysaccharide degradation of Klebsiella pneumoniae K64.
Int.J.Biol.Macromol., 265, 2024
8X8M
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BU of 8x8m by Molmil
Cryo-EM structure of a bacteriophage tail- spike protein against Klebsiella pneumoniae K64,ORF41(K64-ORF41)
分子名称: Probable tail spike protein
著者Xie, Y, Huang, T, Zhang, Z, Tao, X.
登録日2023-11-27
公開日2024-09-04
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献Structural and functional basis of bacteriophage K64-ORF41 depolymerase for capsular polysaccharide degradation of Klebsiella pneumoniae K64.
Int.J.Biol.Macromol., 265, 2024
7BWJ
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BU of 7bwj by Molmil
crystal structure of SARS-CoV-2 antibody with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
著者Wang, X, Ge, J.
登録日2020-04-14
公開日2020-06-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Human neutralizing antibodies elicited by SARS-CoV-2 infection.
Nature, 584, 2020
7CHO
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BU of 7cho by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.561 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.357 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
8VLF
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BU of 8vlf by Molmil
Crystal structure of Ash1L PHD finger in complex with histone H3K4me3
分子名称: Histone H3.3C, Histone-lysine N-methyltransferase ASH1L, ZINC ION
著者Vann, K.R, Kutateladze, T.G.
登録日2024-01-11
公開日2025-03-19
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
8VLD
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BU of 8vld by Molmil
Crystal structure of Ash1L PHD finger in complex with histone H3K4me2
分子名称: Histone H3.3C, Histone-lysine N-methyltransferase ASH1L, ZINC ION
著者Vann, K.R, Kutateladze, T.G.
登録日2024-01-11
公開日2025-03-19
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
8VLH
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BU of 8vlh by Molmil
Crystal structure of Ash1L PHD-BAH domains
分子名称: Histone-lysine N-methyltransferase ASH1L, STRONTIUM ION, ZINC ION
著者Vann, K.R, Tencer, A.H, Kutateladze, T.G.
登録日2024-01-11
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
8VWX
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BU of 8vwx by Molmil
Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to Maltose-Binding Protein
分子名称: Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera
著者Baird, J, Holliday, M.
登録日2024-02-02
公開日2024-10-02
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
8VXN
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BU of 8vxn by Molmil
Human Bcl-2/Bcl-xL Chimera Fused to Maltose-Binding Protein
分子名称: Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera
著者Baird, J, Holliday, M.
登録日2024-02-05
公開日2024-10-02
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
8VXM
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BU of 8vxm by Molmil
Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746
分子名称: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
著者Baird, J, Holliday, M.
登録日2024-02-05
公開日2024-10-02
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
8VWZ
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BU of 8vwz by Molmil
Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746
分子名称: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
著者Baird, J, Holliday, M.
登録日2024-02-02
公開日2024-10-02
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
7WRP
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BU of 7wrp by Molmil
Crystal Structure of pks13-ACP domain from Corynebacterium diphtheriae
分子名称: 4'-PHOSPHOPANTETHEINE, Polyketide synthase involved in mycolic acid biosynthesis
著者Liu, X.
登録日2022-01-27
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae.
Biochem.Biophys.Res.Commun., 590, 2022
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
分子名称: 3C-like proteinase
著者Yi, Y, Zhang, M, Ye, M.
登録日2021-08-21
公開日2022-06-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022

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件を2025-07-09に公開中

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