4JUG
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![BU of 4jug by Molmil](/molmil-images/mine/4jug) | Crystal structure of 1918 pandemic influenza virus hemagglutinin mutant D225G | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | Deposit date: | 2013-03-24 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution J.Virol., 87, 2013
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4JU0
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![BU of 4ju0 by Molmil](/molmil-images/mine/4ju0) | Crystal structure of 2009 pandemic influenza virus hemagglutinin mutant D225E complexed with human receptor analogue LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | Deposit date: | 2013-03-24 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.908 Å) | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution J.Virol., 87, 2013
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4JUH
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![BU of 4juh by Molmil](/molmil-images/mine/4juh) | Crystal structure of 1918 pandemic influenza virus hemagglutinin mutant D225G complexed with avian receptor analogue LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | Deposit date: | 2013-03-24 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution J.Virol., 87, 2013
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4JTV
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![BU of 4jtv by Molmil](/molmil-images/mine/4jtv) | Crystal structure of 2009 pandemic influenza virus hemagglutinin complexed with human receptor analogue LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | Deposit date: | 2013-03-24 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.997 Å) | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution J.Virol., 87, 2013
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6X5D
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![BU of 6x5d by Molmil](/molmil-images/mine/6x5d) | |
1GMY
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![BU of 1gmy by Molmil](/molmil-images/mine/1gmy) | Cathepsin B complexed with dipeptidyl nitrile inhibitor | Descriptor: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | Authors: | 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. | Deposit date: | 2001-09-25 | Release date: | 2002-09-19 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design J.Med.Chem., 44, 2001
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7OOZ
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![BU of 7ooz by Molmil](/molmil-images/mine/7ooz) | 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
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7OP9
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![BU of 7op9 by Molmil](/molmil-images/mine/7op9) | 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
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7OPA
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![BU of 7opa by Molmil](/molmil-images/mine/7opa) | 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
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7OOY
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![BU of 7ooy by Molmil](/molmil-images/mine/7ooy) | 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
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6ZXQ
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![BU of 6zxq by Molmil](/molmil-images/mine/6zxq) | 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
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3EIV
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![BU of 3eiv by Molmil](/molmil-images/mine/3eiv) | |
3OOH
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![BU of 3ooh by Molmil](/molmil-images/mine/3ooh) | 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
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3ONV
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![BU of 3onv by Molmil](/molmil-images/mine/3onv) | 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
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3OPV
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![BU of 3opv by Molmil](/molmil-images/mine/3opv) | 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
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6W4F
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![BU of 6w4f by Molmil](/molmil-images/mine/6w4f) | 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
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6W4E
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![BU of 6w4e by Molmil](/molmil-images/mine/6w4e) | 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
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3OOE
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![BU of 3ooe by Molmil](/molmil-images/mine/3ooe) | 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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7KU4
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![BU of 7ku4 by Molmil](/molmil-images/mine/7ku4) | |
7KWK
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![BU of 7kwk by Molmil](/molmil-images/mine/7kwk) | |
2NW6
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![BU of 2nw6 by Molmil](/molmil-images/mine/2nw6) | 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: | 2023-10-25 | 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
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8OXF
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![BU of 8oxf by Molmil](/molmil-images/mine/8oxf) | |