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PDB: 151 results
4LKH
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BU of 4lkh by Molmil
The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin
Authors: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.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.099 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKI
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BU of 4lki by Molmil
The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
Authors: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.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
3U83
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BU of 3u83 by Molmil
Crystal structure of nectin-1
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Poliovirus receptor-related protein 1
Authors:Zhang, N, Yan, J, Lu, G, Guo, Z, Fan, Z, Wang, J, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2011-10-15
Release date:2012-03-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.499 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors: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.
Deposit date:2013-05-12
Release date:2013-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.604 Å)
Cite: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
Descriptor: CHLORIDE ION, Granzyme H, SULFATE ION
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.994 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzylthio-2-chloropurine, GLYCEROL, ...
Authors:Narczyk, M, Stefanic, Z.
Deposit date:2021-05-28
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 7op9 by Molmil
Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 2,6-dichloropurine
Descriptor: 2,6-bis(chloranyl)-7H-purine, IMIDAZOLE, MAGNESIUM ION, ...
Authors:Narczyk, M, Stefanic, Z.
Deposit date:2021-05-31
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzylthio-2-chloropurine, GLYCEROL, ...
Authors:Narczyk, M, Stefanic, Z.
Deposit date:2021-05-31
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzyloxo-2-chloropurine, GLYCEROL, ...
Authors:Narczyk, M, Stefanic, Z.
Deposit date:2021-05-28
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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).
Descriptor: 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
Authors:Ogbonna, E, Fang, Z, Wilson, W.D.
Deposit date:2020-11-24
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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).
Descriptor: 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
Authors:Ogbonna, E, Fang, Z, Wilson, D.W.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite: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
Descriptor: CHLORIDE ION, Halohydrin dehalogenase
Authors:Majeric Elenkov, M, Stefanic, Z.
Deposit date:2023-05-02
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*(UWJ)P*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Chen, C, Fang, Z, Huang, Z.
Deposit date:2020-05-25
Release date:2021-06-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.15 Å)
Cite: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
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
Deposit date:2020-03-10
Release date:2020-04-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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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BU of 6w4e by Molmil
NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, ...
Authors:Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
Deposit date:2020-03-10
Release date:2020-04-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: Single-stranded DNA-binding protein 2
Authors:Luic, M, Stefanic, Z, Vujaklija, D.
Deposit date:2008-09-17
Release date:2009-09-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Structure of the single-stranded DNA-binding protein from Streptomyces coelicolor.
Acta Crystallogr.,Sect.D, 65, 2009
4K48
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BU of 4k48 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain
Descriptor: Leucine--tRNA ligase
Authors: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.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
4K47
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BU of 4k47 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct
Descriptor: 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
Authors: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.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite: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
Descriptor: 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE, Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bubic, A, Stefanic, Z.
Deposit date:2020-07-30
Release date:2021-08-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Purine nucleoside phosphorylase deoD-type, SULFATE ION
Authors:Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
Deposit date:2010-08-30
Release date:2011-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.893 Å)
Cite: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
Descriptor: (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE, CALCIUM ION, Lipase, ...
Authors:Luic, M, Stefanic, Z.
Deposit date:2006-11-14
Release date:2007-12-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
Authors:Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
Deposit date:2010-08-31
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
Authors:Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
Deposit date:2010-09-02
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
Authors:Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
Deposit date:2010-08-31
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011

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