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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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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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: | 2024-05-01 | 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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7NB6
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1YGT
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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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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: | 2024-05-01 | 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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1US3
| Native xylanase10C from Cellvibrio japonicus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-BETA-1,4-XYLANASE PRECURSOR, GLYCEROL, ... | Authors: | Pell, G, Szabo, L, Charnock, S.J, Xie, H, Gloster, T.M, Davies, G.J, Gilbert, H.J. | Deposit date: | 2003-11-17 | Release date: | 2003-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biochemical Analysis of Cellvibrio Japonicus Xylanase 10C: How Variation in Substrate-Binding Cleft Influences the Catalytic Profile of Family Gh-10 Xylanases J.Biol.Chem., 279, 2004
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1US2
| Xylanase10C (mutant E385A) from Cellvibrio japonicus in complex with xylopentaose | Descriptor: | ENDO-BETA-1,4-XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Pell, G, Szabo, L, Charnock, S.J, Xie, H, Gloster, T.M, Davies, G.J, Gilbert, H.J. | Deposit date: | 2003-11-17 | Release date: | 2003-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biochemical Analysis of Cellvibrio Japonicus Xylanase 10C: How Variation in Substrate-Binding Cleft Influences the Catalytic Profile of Family Gh-10 Xylanases J.Biol.Chem., 279, 2004
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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: | 2024-05-01 | 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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5DJQ
| The structure of CBB3 cytochrome oxidase. | Descriptor: | CALCIUM ION, COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoN1, ... | Authors: | Buschmann, S, Warkentin, E, Xie, H, Kohlstaedt, M, Langer, J.D, Ermler, U, Michel, H. | Deposit date: | 2015-09-02 | Release date: | 2016-01-13 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The structure of cbb3 cytochrome oxidase provides insights into proton pumping. Science, 329, 2010
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7TPR
| Camel nanobodies 7A3 and 8A2 broadly neutralize SARS-CoV-2 variants | Descriptor: | Nanobody 7A3, Nanobody 8A2, Spike glycoprotein | Authors: | Butay, K.J, Zhu, J, Dandey, V.P, Hong, J, Kwon, H.J, Chen, C.Z, Duan, Z, Li, D, Ren, H, Liang, T, Martin, N, Esposito, D, Ortega-Rodriguez, U, Xu, M, Xie, H, Ho, M, Cachau, R, Borgnia, M.J. | Deposit date: | 2022-01-25 | Release date: | 2022-04-20 | Method: | ELECTRON MICROSCOPY (2.39 Å) | Cite: | Camel nanobodies broadly neutralize SARS-CoV-2 variants bioRxiv, 2021
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4PUS
| Crystal Structure of Influenza A Virus Matrix Protein M1 | Descriptor: | Matrix protein 1 | Authors: | Safo, M.K, Musayev, F.N, Mosier, P.D, Xie, H, Desai, U.R. | Deposit date: | 2014-03-13 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of influenza a virus matrix protein m1: variations on a theme. Plos One, 9, 2014
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5V7B
| Crystal structure of Influenza A virus matrix protein M1 (NLS-88E) | Descriptor: | Matrix protein 1 | Authors: | Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J. | Deposit date: | 2017-03-20 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication. Emerg Microbes Infect, 6, 2017
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8HI9
| SARS-CoV-2 3CL protease (3CLpro) in complex with Robinetin | Descriptor: | 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 3C-like proteinase nsp5 | Authors: | Su, H.X, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2022-11-19 | Release date: | 2023-10-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of Polyphenolic Natural Products as SARS-CoV-2 M pro Inhibitors for COVID-19. Pharmaceuticals, 16, 2023
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8GJM
| 17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2. J Med Virol, 95, 2023
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8GJN
| 17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ... | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2. J Med Virol, 95, 2023
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6M2N
| SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor | Descriptor: | 3C-like proteinase, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | Authors: | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | Deposit date: | 2020-02-28 | Release date: | 2020-04-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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6M2Q
| SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21) | Descriptor: | 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | Deposit date: | 2020-02-28 | Release date: | 2020-04-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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7DPV
| SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin | Descriptor: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPU
| SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin | Descriptor: | 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPP
| SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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