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6UOZ
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BU of 6uoz by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称: 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
著者Zhao, B.
登録日2019-10-16
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UTG
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BU of 6utg by Molmil
Allosteric coupling between alpha-rings of the 20S proteasome, 20S singly capped with a PA26/V230F
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Yu, Z, Cheng, Y.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020
5XL1
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BU of 5xl1 by Molmil
The structure of hemagglutinin from an avian-origin H4N6 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Song, H, Qi, J, Gao, F.G.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XLC
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BU of 5xlc by Molmil
The structure of hemagglutinin Q226L-G228S mutant from an avian-origin H4N6 influenza virus in complex with avian receptor analog LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XL5
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BU of 5xl5 by Molmil
The structure of hemagglutinin Q226L mutant from an avian-origin H4N6 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XL3
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BU of 5xl3 by Molmil
Complex structure of H4 hemagglutinin from avian influenza H4N6 virus with LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid, ...
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
6VEI
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BU of 6vei by Molmil
Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6UTI
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BU of 6uti by Molmil
Allosteric coupling between alpha-rings of 20S proteasome, 20S proteasome with singly capped PAN complex
分子名称: Proteasome subunit alpha, Proteasome subunit beta
著者Cheng, Y, Yu, Z.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020
6LOI
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BU of 6loi by Molmil
Crystal structure of Enterococcus faecalis Undecaprenyl pyrophosphate synthase(EfaUPPS)
分子名称: Isoprenyl transferase
著者Lin, W, Wang, C.Y, Li, W.J, Wang, F.L.
登録日2020-01-05
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Investigations into the Antibacterial Mechanism of Action of Viridicatumtoxins.
Acs Infect Dis., 6, 2020
6UTF
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BU of 6utf by Molmil
Allosteric coupling between alpha-rings of the 20S proteasome, archaea 20S proteasome singly capped with a PAN complex
分子名称: Proteasome subunit alpha, Proteasome subunit beta
著者Cheng, Y, Yu, Z.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020
6VG0
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BU of 6vg0 by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
著者Padyana, A, Jin, L.
登録日2020-01-07
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6VFZ
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BU of 6vfz by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor.
分子名称: 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
著者Padyana, A, Jin, L.
登録日2020-01-07
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
4ES4
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BU of 4es4 by Molmil
Crystal structure of YdiV and FlhD complex
分子名称: Flagellar transcriptional regulator FlhD, Putative cyclic di-GMP regulator CdgR
著者Li, B, Gu, L.
登録日2012-04-22
公開日2012-10-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility
Nucleic Acids Res., 40, 2012
8J67
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BU of 8j67 by Molmil
Crystal structure of Toxoplasma gondii M2AP
分子名称: MIC2-associated protein
著者Wang, F.F, Zhang, D.J, Zhang, S, Springer, T.A, Song, G.J.
登録日2023-04-24
公開日2023-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural insights into MIC2 recognition by MIC2-associated protein in Toxoplasma gondii.
Commun Biol, 6, 2023
8J64
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BU of 8j64 by Molmil
Crystal structure of Toxoplasma gondii MIC2-M2AP complex
分子名称: MIC2-associated protein, Micronemal protein MIC2
著者Zhang, S, Wang, F.F, Zhang, D.J, Song, G.J, Springer, T.A.
登録日2023-04-24
公開日2023-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into MIC2 recognition by MIC2-associated protein in Toxoplasma gondii.
Commun Biol, 6, 2023
2OP1
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BU of 2op1 by Molmil
Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase
分子名称: 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tsai, H.
登録日2007-01-26
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
7TZO
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BU of 7tzo by Molmil
The apo structure of human mTORC2 complex
分子名称: Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ...
著者Yu, Z, Chen, J, Pearce, D.
登録日2022-02-16
公開日2023-01-11
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Interactions between mTORC2 core subunits Rictor and mSin1 dictate selective and context-dependent phosphorylation of substrate kinases SGK1 and Akt.
J.Biol.Chem., 298, 2022
6HER
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BU of 6her by Molmil
Mouse prion protein in complex with Nanobody 484
分子名称: GLYCEROL, Major prion protein, Nanobody 484, ...
著者Soror, S.H, Abskharon, R, Wohlkonig, A.
登録日2018-08-20
公開日2019-12-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion.
Plos Pathog., 15, 2019
3K6G
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BU of 3k6g by Molmil
Crystal structure of Rap1 and TRF2 complex
分子名称: Telomeric repeat-binding factor 2, Telomeric repeat-binding factor 2-interacting protein 1
著者Chen, Y, Rai, R, Yang, Y.T, Zheng, H, Chang, S, Lei, M.
登録日2009-10-08
公開日2010-10-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
6HEQ
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BU of 6heq by Molmil
Prion nanobody 484
分子名称: Prion nanobody 484
著者Soror, S.H, Abskharon, R.N, Wohlkonig, A.
登録日2018-08-20
公開日2019-12-04
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion.
Plos Pathog., 15, 2019
6HHD
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BU of 6hhd by Molmil
Mouse Prion Protein in complex with Nanobody 484
分子名称: CHLORIDE ION, GLYCEROL, Major prion protein, ...
著者Soror, S, Abskharon, R, Wohlkonig, A.
登録日2018-08-28
公開日2019-12-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion.
Plos Pathog., 15, 2019
8SK4
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BU of 8sk4 by Molmil
Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors)
分子名称: 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5, IMIDAZOLE
著者Knapp, M.S, Ornelas, E.
登録日2023-04-18
公開日2023-06-07
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 2023
8SKH
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BU of 8skh by Molmil
Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors
分子名称: 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5
著者Knapp, M.S, Ornelas, E.
登録日2023-04-19
公開日2023-06-07
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 24, 2023
2OL4
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BU of 2ol4 by Molmil
Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase
分子名称: 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tsai, H.
登録日2007-01-18
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
2OP0
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BU of 2op0 by Molmil
Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase
分子名称: 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-5-PYRIDIN-2-YLPHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Tsai, H.
登録日2007-01-26
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007

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