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PDB: 122 件
4NOO
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BU of 4noo by Molmil
Molecular mechanism for self-protection against type VI secretion system in Vibrio cholerae
分子名称: Putative uncharacterized protein, VgrG protein
著者Yang, X, Xu, M, Jiang, T, Fan, Z.
登録日2013-11-20
公開日2014-04-09
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism for self-protection against the type VI secretion system in Vibrio cholerae.
Acta Crystallogr.,Sect.D, 70, 2014
4NFC
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BU of 4nfc by Molmil
Structure of paired immunoglobulin-like type 2 receptor (PILR )
分子名称: Paired immunoglobulin-like type 2 receptor beta
著者Lu, Q, Lu, G, Qi, J, Li, Y, Zhang, Y, Wang, H, Fan, Z, Yan, J, Gao, G.F.
登録日2013-10-31
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PILR alpha and PILR beta have a siglec fold and provide the basis of binding to sialic acid
Proc.Natl.Acad.Sci.USA, 111, 2014
5ZO1
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BU of 5zo1 by Molmil
Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain (Ig1-Ig3), 2.2A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 4, GLYCEROL
著者Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X.
登録日2018-04-12
公開日2019-01-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZO2
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BU of 5zo2 by Molmil
Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain in complex with mouse nectin-like molecule 1 (mNecl-1) Ig1 domain, 3.3A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 3, Cell adhesion molecule 4
著者Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X.
登録日2018-04-12
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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
1GMY
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BU of 1gmy by Molmil
Cathepsin B complexed with dipeptidyl nitrile inhibitor
分子名称: 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ...
著者Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K.
登録日2001-09-25
公開日2002-09-19
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
J.Med.Chem., 44, 2001
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
7OP9
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BU of 7op9 by Molmil
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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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
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
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
6W4E
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BU of 6w4e by Molmil
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
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
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
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
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
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2023-10-25
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
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

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