8HHT
 
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | | Deposit date: | 2022-11-17 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
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7E3K
 | | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | | Descriptor: | 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | | Deposit date: | 2021-02-09 | | Release date: | 2021-09-15 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
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7E3L
 | | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ... | | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | | Deposit date: | 2021-02-09 | | Release date: | 2021-09-15 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
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4ZXA
 | | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Cd2+ and 4-hydroxybenzonitrile | | Descriptor: | 4-hydroxybenzonitrile, CADMIUM ION, Hydroquinone dioxygenase large subunit, ... | | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | | Deposit date: | 2015-05-20 | | Release date: | 2015-09-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.488 Å) | | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
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4P0W
 | | Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate | | Descriptor: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.L, Oldfield, E. | | Deposit date: | 2014-02-23 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4P0V
 | | Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione | | Descriptor: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.L, Oldfield, E. | | Deposit date: | 2014-02-23 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4P0X
 | | Human farnesyl diphosphate synthase in complex with Taxodione | | Descriptor: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase | | Authors: | Liu, Y.L, Oldfield, E. | | Deposit date: | 2014-02-23 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3WUB
 | | The wild type crystal structure of b-1,4-Xylanase (XynAS9) from Streptomyces sp. 9 | | Descriptor: | Endo-1,4-beta-xylanase A, ZINC ION | | Authors: | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y.Y, Guo, R.T. | | Deposit date: | 2014-04-23 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability.
J.Biotechnol., 189C, 2014
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3WUG
 | | The mutant crystal structure of b-1,4-Xylanase (XynAS9_V43P/G44E) with xylobiose from Streptomyces sp. 9 | | Descriptor: | Endo-1,4-beta-xylanase A, ZINC ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y.Y, Guo, R.T. | | Deposit date: | 2014-04-23 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability.
J.Biotechnol., 189C, 2014
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4PLJ
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3WUF
 | | The mutant crystal structure of b-1,4-Xylanase (XynAS9_V43P/G44E) from Streptomyces sp. 9 | | Descriptor: | Endo-1,4-beta-xylanase A, ZINC ION | | Authors: | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y.Y, Guo, R.T. | | Deposit date: | 2014-04-23 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability.
J.Biotechnol., 189C, 2014
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3WUE
 | | The wild type crystal structure of b-1,4-Xylanase (XynAS9) with xylobiose from Streptomyces sp. 9 | | Descriptor: | Endo-1,4-beta-xylanase A, ZINC ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y, Guo, R.T. | | Deposit date: | 2014-04-23 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability.
J.Biotechnol., 189C, 2014
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4PLK
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4M48
 | | X-ray structure of dopamine transporter elucidates antidepressant mechanism | | Descriptor: | 9D5 antibody, heavy chain, light chain, ... | | Authors: | Gouaux, E, Penmatsa, A, Wang, K. | | Deposit date: | 2013-08-06 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.955 Å) | | Cite: | X-ray structure of dopamine transporter elucidates antidepressant mechanism.
Nature, 503, 2013
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5VOL
 | | Bacint_04212 ferulic acid esterase | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, Putative esterase | | Authors: | Koropatkin, N.M, Cann, I, Mackie, R.I. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Biochemical and Structural Analyses of Two Cryptic Esterases in Bacteroides intestinalis and their Synergistic Activities with Cognate Xylanases.
J. Mol. Biol., 429, 2017
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7Y7K
 | | SARS-CoV-2 RBD in complex with 1F Fab | | Descriptor: | 1F VH, 1F VL, Spike protein S1 | | Authors: | Zhao, S, Liu, F, Yang, X, Zhong, G. | | Deposit date: | 2022-06-22 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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7Y7J
 | | SARS-CoV-2 S trimer in complex with 1F Fab | | Descriptor: | 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, S, Liu, F, Yang, X, Zhong, G. | | Deposit date: | 2022-06-22 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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7D88
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7D89
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3RBM
 | | Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH -703 | | Descriptor: | 3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.L, No, J.H, Oldfield, E. | | Deposit date: | 2011-03-29 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3RYW
 | | Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811 | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ... | | Authors: | No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-05-11 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7XKG
 | | Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of Roseiflexus castenholzii | | Descriptor: | Acyl-CoA transferase/carnitine dehydratase-like protein | | Authors: | Min, Z.Z, Fan, C.P, Wu, W.P, Xin, Y.Y, Liu, M.H, Zhang, X, Wang, Z.G, Xu, X.L. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-15 | | Last modified: | 2022-07-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of an Intramolecular Mesaconyl-Coenzyme A Transferase From the 3-Hydroxypropionic Acid Cycle of Roseiflexus castenholzii .
Front Microbiol, 13, 2022
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3TFP
 | | Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162 | | Descriptor: | 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
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3TFV
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154 | | Descriptor: | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
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3TFN
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