1H6X
| The role of conserved amino acids in the cleft of the C-terminal family 22 carbohydrate binding module of Clostridium thermocellum Xyn10B in ligand binding | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE Y | Authors: | Xie, H, Bolam, D.N, Charnock, S.J, Davies, G.J, Williamson, M.P, Simpson, P.J, Fontes, C.M.G.A, Ferreira, L.M.A, Gilbert, H.J. | Deposit date: | 2001-06-29 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding Biochemistry, 40, 2001
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1H6Y
| The role of conserved amino acids in the cleft of the C-terminal family 22 carbohydrate binding module of Clostridium thermocellum Xyn10B in ligand binding | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE Y | Authors: | Xie, H, Bolam, D.N, Charnock, S.J, Davies, G.J, Williamson, M.P, Simpson, P.J, Fontes, C.M.G.A, Ferreira, L.M.A, Gilbert, H.J. | Deposit date: | 2001-06-29 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding Biochemistry, 40, 2001
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2CNC
| Family 10 xylanase | Descriptor: | CHLORIDE ION, ENDOXYLANASE, MAGNESIUM ION, ... | Authors: | Xie, H, Flint, J, Vardakou, M, Lakey, J.H, Lewis, R.J, Gilbert, H.J, Dumon, C. | Deposit date: | 2006-05-19 | Release date: | 2006-06-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the Structural Basis for the Difference in Thermostability Displayed by Family 10 Xylanases. J.Mol.Biol., 360, 2006
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8H1D
| Solid-state NMR Structure of Aquaporin Z in its Native Cellular Membranes | Descriptor: | Aquaporin Z | Authors: | Xie, H, Zhao, Y, Zhao, W, Chen, Y, Liu, M, Yang, J. | Deposit date: | 2022-10-02 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | SOLID-STATE NMR | Cite: | Solid-state NMR structure determination of a membrane protein in E. coli cellular inner membrane. Sci Adv, 9, 2023
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7Z6Q
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8WDX
| Crystal structure of human FABP4 complexed with C3 | Descriptor: | 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid, Fatty acid-binding protein, ... | Authors: | Xie, H, Chen, G.F, Xu, Y.C. | Deposit date: | 2023-09-16 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3. Eur.J.Med.Chem., 264, 2023
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8WE3
| Crystal structure of human FABP4 complexed with C7 | Descriptor: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte | Authors: | Xie, H, Chen, G.F, Xu, Y.C, Li, M.J. | Deposit date: | 2023-09-16 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3. Eur.J.Med.Chem., 264, 2023
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7DNC
| Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. J.Med.Chem., 65, 2022
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7YF2
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7YF3
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7Y9C
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7YF4
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7NB6
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7OT9
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6N5V
| Crystal Structure of Strictosidine in complex with 1H-indole-4-ethanamine | Descriptor: | 2-(1H-indol-4-yl)ethan-1-amine, Strictosidine synthase | Authors: | Cai, Y, Shao, N, Xie, H, Futamura, Y, Panjikar, S, Liu, H, Zhu, H, Osada, H, Zou, H. | Deposit date: | 2018-11-22 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.549 Å) | Cite: | Crystal Structure of Strictosidine in complex with 1H-indole-4-ethanamine to be published
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6Z71
| Structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | Descriptor: | Aq128 | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | Deposit date: | 2020-05-29 | Release date: | 2021-12-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily. Proc.Natl.Acad.Sci.USA, 118, 2021
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6Z70
| Structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Aq128 | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | Deposit date: | 2020-05-29 | Release date: | 2021-12-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily. Proc.Natl.Acad.Sci.USA, 118, 2021
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6FV6
| Monomer structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | Descriptor: | Aq128 | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | Deposit date: | 2018-03-01 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Monomer structure of Aq128 in the outward-facing state To Be Published
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6FV8
| Dimer structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | Descriptor: | Aq128 | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | Deposit date: | 2018-03-01 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Dimer structure of the MATE family multidrug resistance transporter Aq128
in the outward-facing state To Be Published
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6FV7
| Dimer structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | Descriptor: | Aq128 | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | Deposit date: | 2018-03-01 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Dimer structure of Aq128 in the outward-facing state To Be Published
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1GNY
| xylan-binding module CBM15 | Descriptor: | SODIUM ION, XYLANASE 10C, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Szabo, S, Jamal, S, Xie, H, Charnock, S.J, Bolam, D.N, Gilbert, H.J, Davies, G.J. | Deposit date: | 2001-10-10 | Release date: | 2001-11-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure of a Family 15 Carbohydrate-Binding Module in Complex with Xylopentaose: Evidence that Xylan Binds in an Approximate Three-Fold Helical Conformation J.Biol.Chem., 276, 2001
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2XFE
| vCBM60 in complex with galactobiose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-05-21 | Release date: | 2010-06-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules. J.Biol.Chem., 285, 2010
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2XHJ
| Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules. SeMet form of vCBM60. | Descriptor: | CALCIUM ION, CALCIUM-DEPENDENT CARBOHYDRATE BINDING MODULE | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-06-16 | Release date: | 2010-07-21 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules J.Biol.Chem., 285, 2010
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2XFD
| vCBM60 in complex with cellobiose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, GLYCEROL, ... | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-05-21 | Release date: | 2010-06-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules. J.Biol.Chem., 285, 2010
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2XHH
| Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules | Descriptor: | (2S)-2-hydroxybutanedioic acid, CALCIUM ION, CARBOHYDRATE BINDING MODULE | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-06-16 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules J.Biol.Chem., 285, 2010
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