4RHS
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![BU of 4rhs by Molmil](/molmil-images/mine/4rhs) | Crystal structure of GD2 bound PltB | Descriptor: | ACETATE ION, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Putative pertussis-like toxin subunit | Authors: | Gao, X, Wang, J, Galan, J. | Deposit date: | 2014-10-02 | Release date: | 2014-10-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9211 Å) | Cite: | Host adaptation of a bacterial toxin from the human pathogen salmonella typhi. Cell(Cambridge,Mass.), 159, 2014
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4LCL
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![BU of 4lcl by Molmil](/molmil-images/mine/4lcl) | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208) | Descriptor: | ISOPROPYL ALCOHOL, Transesterase | Authors: | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | Deposit date: | 2013-06-21 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of distant mutations and allosteric regulation on LovD active site dynamics. Nat.Chem.Biol., 10, 2014
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4LCM
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![BU of 4lcm by Molmil](/molmil-images/mine/4lcm) | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014) | Descriptor: | Transesterase | Authors: | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | Deposit date: | 2013-06-21 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | The role of distant mutations and allosteric regulation on LovD active site dynamics. Nat.Chem.Biol., 10, 2014
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4K6L
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![BU of 4k6l by Molmil](/molmil-images/mine/4k6l) | Structure of Typhoid Toxin | Descriptor: | Cytolethal distending toxin subunit B homolog, GLYCEROL, Putative pertussis-like toxin subunit | Authors: | Gao, X, Song, J, Galan, J. | Deposit date: | 2013-04-16 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Structure and function of the Salmonella Typhi chimaeric A(2)B(5) typhoid toxin. Nature, 499, 2013
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5YBH
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![BU of 5ybh by Molmil](/molmil-images/mine/5ybh) | |
6PWC
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![BU of 6pwc by Molmil](/molmil-images/mine/6pwc) | A complex structure of arrestin-2 bound to neurotensin receptor 1 | Descriptor: | Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ... | Authors: | Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E. | Deposit date: | 2019-07-22 | Release date: | 2019-12-04 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | A complex structure of arrestin-2 bound to a G protein-coupled receptor. Cell Res., 29, 2019
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3U30
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![BU of 3u30 by Molmil](/molmil-images/mine/3u30) | Crystal structure of a linear-specific Ubiquitin fab bound to linear ubiquitin | Descriptor: | Heavy chain Fab, Light chain Fab, linear di-ubiquitin | Authors: | Matsumoto, M.L, Dong, K.C, Yu, C, Phu, L, Gao, X, Hannoush, R.N, Hymowitz, S.G, Kirkpatrick, D.S, Dixit, V.M, Kelley, R.F. | Deposit date: | 2011-10-04 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.428 Å) | Cite: | Engineering and structural characterization of a linear polyubiquitin-specific antibody. J.Mol.Biol., 418, 2012
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8HM1
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![BU of 8hm1 by Molmil](/molmil-images/mine/8hm1) | |
8HM2
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![BU of 8hm2 by Molmil](/molmil-images/mine/8hm2) | |
8HM4
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![BU of 8hm4 by Molmil](/molmil-images/mine/8hm4) | Crystal structure of PPIase | Descriptor: | Peptidylprolyl isomerase | Authors: | Xu, J.H, Chen, Z, Gao, X. | Deposit date: | 2022-12-02 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome. Nat Microbiol, 9, 2024
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8HM3
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![BU of 8hm3 by Molmil](/molmil-images/mine/8hm3) | Complex of PPIase-BfUbb | Descriptor: | GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ... | Authors: | Xu, J.H, Chen, Z, Gao, X. | Deposit date: | 2022-12-02 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome. Nat Microbiol, 9, 2024
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1NOQ
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![BU of 1noq by Molmil](/molmil-images/mine/1noq) | e-motif structure | Descriptor: | 5'-D(*CP*CP*GP*CP*CP*G)-3' | Authors: | Zheng, M, Huang, X, Smith, G.K, Yang, X, Gao, X. | Deposit date: | 2003-01-16 | Release date: | 2003-02-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Genetically unstable CXG repeats are structurally dynamic and have a high propensity for folding.
An NMR and UV spectroscopic study. J.Mol.Biol., 264, 1996
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8ZC4
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![BU of 8zc4 by Molmil](/molmil-images/mine/8zc4) | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZC0
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![BU of 8zc0 by Molmil](/molmil-images/mine/8zc0) | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.17 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZC6
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![BU of 8zc6 by Molmil](/molmil-images/mine/8zc6) | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-29 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (6.85 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZC3
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![BU of 8zc3 by Molmil](/molmil-images/mine/8zc3) | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.69 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZC5
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![BU of 8zc5 by Molmil](/molmil-images/mine/8zc5) | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZC1
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![BU of 8zc1 by Molmil](/molmil-images/mine/8zc1) | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | Descriptor: | Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1 | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.17 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZC2
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![BU of 8zc2 by Molmil](/molmil-images/mine/8zc2) | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-29 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (7.82 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZBY
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![BU of 8zby by Molmil](/molmil-images/mine/8zby) | SARS-CoV-2 Omicron BA.1 spike trimer (x2-4P) in complex with 3 D1F6 Fabs (0 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZBZ
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![BU of 8zbz by Molmil](/molmil-images/mine/8zbz) | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.71 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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1NP5
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![BU of 1np5 by Molmil](/molmil-images/mine/1np5) | (GAC)3 parallel duplex | Descriptor: | 5'-D(*GP*AP*CP*GP*AP*CP*GP*AP*C)-3' | Authors: | Zheng, M, Han, X, Gao, X. | Deposit date: | 2003-01-17 | Release date: | 2003-02-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Strand polarity of trinucleotide repeat sequences:
NMR studies of parallel/anti-pararell duplex,{d(GAC)3}2 To be Published
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5XET
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![BU of 5xet by Molmil](/molmil-images/mine/5xet) | Crystal structure of Mycobacterium tuberculosis methionyl-tRNA synthetase bound by methionyl-adenylate (Met-AMP) | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methionine--tRNA ligase, ... | Authors: | Wang, W, Qin, B, Wojdyla, J.A, Wang, M, Gao, X, Cui, S. | Deposit date: | 2017-04-06 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural characterization of free-state and product-stateMycobacterium tuberculosismethionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism. IUCrJ, 5, 2018
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4ZWJ
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![BU of 4zwj by Molmil](/molmil-images/mine/4zwj) | Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser | Descriptor: | Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin | Authors: | Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2015-05-19 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.302 Å) | Cite: | Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser. Nature, 523, 2015
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1Q3H
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![BU of 1q3h by Molmil](/molmil-images/mine/1q3h) | mouse CFTR NBD1 with AMP.PNP | Descriptor: | ACETIC ACID, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ... | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | Deposit date: | 2003-07-29 | Release date: | 2003-12-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator. Embo J., 23, 2004
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