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PDB: 151 件
4LKH
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The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.099 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKI
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The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
3U83
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Crystal structure of nectin-1
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Poliovirus receptor-related protein 1
著者Zhang, N, Yan, J, Lu, G, Guo, Z, Fan, Z, Wang, J, Shi, Y, Qi, J, Gao, G.F.
登録日2011-10-15
公開日2012-03-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Binding of herpes simplex virus glycoprotein D to nectin-1 exploits host cell adhesion.
Nat Commun, 2, 2011
4KOM
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BU of 4kom by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with avian receptor analog 3'SLNLN (NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4Glc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-05-12
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4GAW
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BU of 4gaw by Molmil
Crystal structure of active human granzyme H
分子名称: CHLORIDE ION, Granzyme H, SULFATE ION
著者Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
登録日2012-07-25
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4LKG
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BU of 4lkg by Molmil
The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with avian receptor analog 3'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
7OOY
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BU of 7ooy by Molmil
Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzylthio-2-chloropurine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzylthio-2-chloropurine, GLYCEROL, ...
著者Narczyk, M, Stefanic, Z.
登録日2021-05-28
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
7OP9
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Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 2,6-dichloropurine
分子名称: 2,6-bis(chloranyl)-7H-purine, IMIDAZOLE, MAGNESIUM ION, ...
著者Narczyk, M, Stefanic, Z.
登録日2021-05-31
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
7OPA
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BU of 7opa by Molmil
Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzylthiopurine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzylthio-2-chloropurine, GLYCEROL, ...
著者Narczyk, M, Stefanic, Z.
登録日2021-05-31
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
7OOZ
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BU of 7ooz by Molmil
Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzyloxo-2-chloropurine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzyloxo-2-chloropurine, GLYCEROL, ...
著者Narczyk, M, Stefanic, Z.
登録日2021-05-28
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
7KU4
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BU of 7ku4 by Molmil
DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
分子名称: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, W.D.
登録日2020-11-24
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
7KWK
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BU of 7kwk by Molmil
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
分子名称: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, D.W.
登録日2020-12-01
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
8OXF
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BU of 8oxf by Molmil
Enantioselective synthesis of fluorine-containing building blocks by employing mutant HHDH in a two-phase system
分子名称: CHLORIDE ION, Halohydrin dehalogenase
著者Majeric Elenkov, M, Stefanic, Z.
登録日2023-05-02
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Enantioselective synthesis of fluorine-containing building blocks by employing mutant HHDH in a two-phase system
To Be Published
6X5D
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BU of 6x5d by Molmil
Structure of Dickerson-Drew Dodecamer with 2'-MeSe-ara-T modification
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*(UWJ)P*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Chen, C, Fang, Z, Huang, Z.
登録日2020-05-25
公開日2021-06-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献2'-Beta-Selenium Atom on Thymidine to Control Beta-Form DNA Conformation and Large Crystal Formation
Cryst.Growth Des., 22, 2022
6W4F
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BU of 6w4f by Molmil
NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
登録日2020-03-10
公開日2020-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
6W4E
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NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, ...
著者Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
登録日2020-03-10
公開日2020-04-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
3EIV
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BU of 3eiv by Molmil
Crystal Structure of Single-stranded DNA-binding protein from Streptomyces coelicolor
分子名称: Single-stranded DNA-binding protein 2
著者Luic, M, Stefanic, Z, Vujaklija, D.
登録日2008-09-17
公開日2009-09-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Structure of the single-stranded DNA-binding protein from Streptomyces coelicolor.
Acta Crystallogr.,Sect.D, 65, 2009
4K48
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Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain
分子名称: Leucine--tRNA ligase
著者Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
登録日2013-04-12
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
4K47
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Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct
分子名称: Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
著者Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
登録日2013-04-12
公開日2013-09-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
6ZXQ
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BU of 6zxq by Molmil
Adenylosuccinate Synthetase from H. pylori in complex with HDA, GDP, IMO, Mg
分子名称: 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE, Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, ...
著者Bubic, A, Stefanic, Z.
登録日2020-07-30
公開日2021-08-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The pursuit of new alternative ways to eradicate Helicobacter pylori continues: Detailed characterization of interactions in the adenylosuccinate synthetase active site
Int.J.Biol.Macromol., 2023
3ONV
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BU of 3onv by Molmil
Crystal structure of E. Coli purine nucleoside phosphorylase with SO4
分子名称: Purine nucleoside phosphorylase deoD-type, SULFATE ION
著者Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
登録日2010-08-30
公開日2011-07-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011
2NW6
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BU of 2nw6 by Molmil
Burkholderia cepacia lipase complexed with S-inhibitor
分子名称: (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE, CALCIUM ION, Lipase, ...
著者Luic, M, Stefanic, Z.
登録日2006-11-14
公開日2007-12-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Combined X-ray diffraction and QM/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification
J.Phys.Chem.B, 112, 2008
3OOH
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BU of 3ooh by Molmil
Crystal structure of E. Coli purine nucleoside phosphorylase with PO4
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
著者Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
登録日2010-08-31
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011
3OPV
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BU of 3opv by Molmil
Crystal structure of E. Coli purine nucleoside phosphorylase Arg24Ala mutant
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
著者Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
登録日2010-09-02
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011
3OOE
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BU of 3ooe by Molmil
Crystal structure of E. Coli purine nucleoside phosphorylase with PO4
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
著者Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
登録日2010-08-31
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011

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