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8TN9
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BU of 8tn9 by Molmil
Structural architecture of the acidic region of the B domain of coagulation factor V
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor V
著者Mohammed, B.M, Basore, K, Summers, B, Pelc, L.A, Di Cera, E.
登録日2023-08-01
公開日2023-10-04
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural architecture of the acidic region of the B domain of coagulation factor V.
J.Thromb.Haemost., 22, 2024
6WS0
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BU of 6ws0 by Molmil
Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT
分子名称: DNA polymerase zeta catalytic subunit, DNA repair protein REV1, Mitotic spindle assembly checkpoint protein MAD2B
著者McPherson, K.S, Korzhnev, D.M.
登録日2020-04-30
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis.
Chemmedchem, 16, 2021
3IEX
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BU of 3iex by Molmil
Schistosoma Purine nucleoside phosphorylase in complex with guanosine
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, GUANOSINE, ...
著者Castilho, M.S, Pereira, H.M, Oliva, G, Andricopulo, A.D.
登録日2009-07-23
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: kinetic and structural studies
Bioorg.Med.Chem., 18, 2010
3SEV
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BU of 3sev by Molmil
Zn-mediated Trimer of Maltose-binding Protein E310H/K314H by Synthetic Symmetrization
分子名称: CHLORIDE ION, Maltose-binding periplasmic protein, ZINC ION, ...
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SEY
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BU of 3sey by Molmil
Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II)
分子名称: ACETATE ION, GLYCEROL, Maltose-binding periplasmic protein, ...
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SER
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BU of 3ser by Molmil
Zn-mediated Polymer of Maltose-binding Protein K26H/K30H by Synthetic Symmetrization
分子名称: CALCIUM ION, CHLORIDE ION, Maltose-binding periplasmic protein, ...
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SEW
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BU of 3sew by Molmil
Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I)
分子名称: CHLORIDE ION, GLYCEROL, Maltose-binding periplasmic protein, ...
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SES
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BU of 3ses by Molmil
Cu-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization
分子名称: CHLORIDE ION, COPPER (II) ION, Maltose-binding periplasmic protein, ...
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SET
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BU of 3set by Molmil
Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I)
分子名称: Maltose-binding periplasmic protein, NICKEL (II) ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SEU
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BU of 3seu by Molmil
Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form III)
分子名称: ACETATE ION, GLYCEROL, Maltose-binding periplasmic protein, ...
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SEX
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BU of 3sex by Molmil
Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II)
分子名称: IODIDE ION, Maltose-binding periplasmic protein, NICKEL (II) ION, ...
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
6H0U
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BU of 6h0u by Molmil
Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor
分子名称: (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ...
著者Marcovich, I, Demitri, N, De Zorzi, R, Storici, P.
登録日2018-07-10
公開日2019-05-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.
Chemmedchem, 14, 2019
7MP3
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BU of 7mp3 by Molmil
Grb7-SH2 domain in complex with bicyclic peptide B8
分子名称: Growth factor receptor-bound protein 7, bicyclic peptide B8
著者Colson, R, Wilce, M.C.J, Wilce, J.A.
登録日2021-05-04
公開日2022-02-02
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Enhancing the Bioactivity of Bicyclic Peptides Targeted to Grb7-SH2 by Restoring Cell Permeability.
Biomedicines, 10, 2022
2WJV
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BU of 2wjv by Molmil
Crystal structure of the complex between human nonsense mediated decay factors UPF1 and UPF2
分子名称: REGULATOR OF NONSENSE TRANSCRIPTS 1, REGULATOR OF NONSENSE TRANSCRIPTS 2, SULFATE ION, ...
著者Clerici, M, Mourao, A, Gutsche, I, Gehring, N.H, Hentze, M.W, Kulozik, A, Kadlec, J, Sattler, M, Cusack, S.
登録日2009-06-01
公開日2009-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Unusual Bipartite Mode of Interaction between the Nonsense-Mediated Decay Factors, Upf1 and Upf2.
Embo J., 28, 2009
3BGC
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BU of 3bgc by Molmil
HIV-1 protease in complex with a benzyl decorated oligoamine
分子名称: CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide), Protease
著者Boettcher, J, Blum, A, Sammet, B, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-11-26
公開日2008-09-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors
Bioorg.Med.Chem., 16, 2008
4GYE
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BU of 4gye by Molmil
MDR 769 HIV-1 Protease in Complex with Reduced P1F
分子名称: P1F peptide, Protease
著者Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C.
登録日2012-09-05
公開日2013-10-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
2WJY
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BU of 2wjy by Molmil
Crystal structure of the complex between human nonsense mediated decay factors UPF1 and UPF2 Orthorhombic form
分子名称: REGULATOR OF NONSENSE TRANSCRIPTS 1, SULFATE ION, ZINC ION
著者Clerici, M, Mourao, A, Gutsche, I, Gehring, N.H, Hentze, M.W, Kulozik, A, Kadlec, J, Sattler, M, Cusack, S.
登録日2009-06-01
公開日2009-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unusual Bipartite Mode of Interaction between the Nonsense-Mediated Decay Factors, Upf1 and Upf2.
Embo J., 28, 2009
3BGB
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BU of 3bgb by Molmil
HIV-1 protease in complex with a isobutyl decorated oligoamine
分子名称: CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide], Protease
著者Boettcher, J, Blum, A, Sammet, B, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-11-26
公開日2008-09-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors
Bioorg.Med.Chem., 16, 2008
4GZF
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BU of 4gzf by Molmil
Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide
分子名称: LrF peptide, Protease
著者Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C.
登録日2012-09-06
公開日2013-10-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
4J27
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BU of 4j27 by Molmil
Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in a novel crystal form
分子名称: Alpha-L-fucosidase, GLYCEROL, IMIDAZOLE, ...
著者Wright, D.W.
登録日2013-02-04
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor.
Bioorg.Med.Chem., 21, 2013
4J28
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BU of 4j28 by Molmil
Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in complex with a 5-membered iminocyclitol inhibitor
分子名称: (2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol, Alpha-L-fucosidase, GLYCEROL, ...
著者Wright, D.W.
登録日2013-02-04
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor.
Bioorg.Med.Chem., 21, 2013
6R8Q
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BU of 6r8q by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Ruza, R.R, Vecchia, L, Jones, E.Y.
登録日2019-04-02
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen.
Medchemcomm, 10, 2019
6R8P
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BU of 6r8p by Molmil
Notum fragment 723
分子名称: 2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2019-04-02
公開日2019-05-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen.
Medchemcomm, 10, 2019
6JEZ
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BU of 6jez by Molmil
Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization
分子名称: (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ...
著者Kojima, H, Yamamoto, K, Itoh, T.
登録日2019-02-07
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
6R8R
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BU of 6r8r by Molmil
Structure of the Wnt deacylase Notum in complex with isoquinoline 45
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Vecchia, L, Zhao, Y, Ruza, R.R, Jones, E.Y.
登録日2019-04-02
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen.
Medchemcomm, 10, 2019

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