8JXX
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![BU of 8jxx by Molmil](/molmil-images/mine/8jxx) | Clobenpropit-bound H4R/Gi complex | Descriptor: | 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | He, Y, Xia, R. | Deposit date: | 2023-07-01 | Release date: | 2024-03-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor. Nat Commun, 15, 2024
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8JXW
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![BU of 8jxw by Molmil](/molmil-images/mine/8jxw) | VUF6884-bound H4R/Gi complex | Descriptor: | 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | He, Y, Xia, R. | Deposit date: | 2023-07-01 | Release date: | 2024-03-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor. Nat Commun, 15, 2024
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8JXV
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![BU of 8jxv by Molmil](/molmil-images/mine/8jxv) | Clozapine-bound H4R/Gi complex | Descriptor: | 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | He, Y, Xia, R. | Deposit date: | 2023-07-01 | Release date: | 2024-03-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor. Nat Commun, 15, 2024
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7YUF
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![BU of 7yuf by Molmil](/molmil-images/mine/7yuf) | apo human SPNS2 | Descriptor: | NbFab H-chain, NbFab L-chain, Sphingosine-1-phosphate transporter SPNS2, ... | Authors: | He, Y, Duan, Y. | Deposit date: | 2022-08-17 | Release date: | 2023-09-06 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2. Cell Res., 34, 2024
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7YUD
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![BU of 7yud by Molmil](/molmil-images/mine/7yud) | FTY720p-bound human SPNS2 | Descriptor: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, NbFab L-chain, NbFab-H-chain, ... | Authors: | He, Y, Duan, Y. | Deposit date: | 2022-08-17 | Release date: | 2023-09-06 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2. Cell Res., 34, 2024
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6LG2
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![BU of 6lg2 by Molmil](/molmil-images/mine/6lg2) | VanR bound to Vanillate | Descriptor: | 4-HYDROXY-3-METHOXYBENZOATE, Predicted transcriptional regulators | Authors: | He, Y, Bharath, S.R, Song, H. | Deposit date: | 2019-12-04 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Developing a highly efficient hydroxytyrosol whole-cell catalyst by de-bottlenecking rate-limiting steps. Nat Commun, 11, 2020
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2W66
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![BU of 2w66 by Molmil](/molmil-images/mine/2w66) | BtGH84 in complex with HQ602 | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ... | Authors: | He, Y, Davies, G.J. | Deposit date: | 2008-12-17 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
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2W67
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![BU of 2w67 by Molmil](/molmil-images/mine/2w67) | BtGH84 in complex with FMA34 | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... | Authors: | He, Y, Davies, G.J. | Deposit date: | 2008-12-17 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
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6UXW
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![BU of 6uxw by Molmil](/molmil-images/mine/6uxw) | SWI/SNF nucleosome complex with ADP-BeFx | Descriptor: | 601 sequence bottom strand, 601 sequence top strand, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | He, Y, Han, Y. | Deposit date: | 2019-11-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (8.96 Å) | Cite: | Cryo-EM structure of SWI/SNF complex bound to a nucleosome. Nature, 579, 2020
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6UXV
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![BU of 6uxv by Molmil](/molmil-images/mine/6uxv) | SWI/SNF Body Module | Descriptor: | SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF chromatin-remodeling complex subunit SWI1, SWI/SNF complex subunit SWI3, ... | Authors: | He, Y, Han, Y. | Deposit date: | 2019-11-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Cryo-EM structure of SWI/SNF complex bound to a nucleosome. Nature, 579, 2020
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8WW2
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![BU of 8ww2 by Molmil](/molmil-images/mine/8ww2) | GPR3/Gs complex | Descriptor: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | He, Y, Xiong, Y. | Deposit date: | 2023-10-24 | Release date: | 2024-02-14 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Identification of oleic acid as an endogenous ligand of GPR3. Cell Res., 34, 2024
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8GRR
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![BU of 8grr by Molmil](/molmil-images/mine/8grr) | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W125 | Descriptor: | A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ... | Authors: | He, Y, Kun, L. | Deposit date: | 2022-09-02 | Release date: | 2023-10-11 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies. Plos Pathog., 19, 2023
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8GSP
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![BU of 8gsp by Molmil](/molmil-images/mine/8gsp) | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W2 | Descriptor: | A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ... | Authors: | He, Y, Li, K. | Deposit date: | 2022-09-06 | Release date: | 2023-10-11 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies. Plos Pathog., 19, 2023
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2KDM
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![BU of 2kdm by Molmil](/molmil-images/mine/2kdm) | NMR structures of GA95 and GB95, two designed proteins with 95% sequence identity but different folds and functions | Descriptor: | DESIGNED PROTEIN | Authors: | He, Y, Alexander, P, Chen, Y, Bryan, P, Orban, J. | Deposit date: | 2009-01-12 | Release date: | 2009-12-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | From the Cover: A minimal sequence code for switching protein structure and function. Proc.Natl.Acad.Sci.USA, 106, 2009
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2KDL
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![BU of 2kdl by Molmil](/molmil-images/mine/2kdl) | NMR structures of GA95 and GB95, two designed proteins with 95% sequence identity but different folds and functions | Descriptor: | designed protein | Authors: | He, Y, Alexander, P, Chen, Y, Bryan, P, Orban, J. | Deposit date: | 2009-01-12 | Release date: | 2009-12-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A minimal sequence code for switching protein structure and function. Proc.Natl.Acad.Sci.USA, 106, 2009
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2MH8
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![BU of 2mh8 by Molmil](/molmil-images/mine/2mh8) | GA-79-MBP cs-rosetta structures | Descriptor: | GA-79-MBP, maltose binding protein | Authors: | He, Y, Chen, Y, Porter, L, Bryan, P, Orban, J. | Deposit date: | 2013-11-19 | Release date: | 2015-04-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Subdomain interactions foster the design of two protein pairs with 80% sequence identity but different folds. Biophys.J., 108, 2015
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2WCA
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![BU of 2wca by Molmil](/molmil-images/mine/2wca) | BtGH84 in complex with n-butyl pugnac | Descriptor: | CALCIUM ION, O-GLCNACASE BT_4395, [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE | Authors: | He, Y, Davies, G.J. | Deposit date: | 2009-03-10 | Release date: | 2009-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insight Into a Strategy for Attenuating Ampc- Mediated Beta-Lactam Resistance: Structural Basis for Selective Inhibition of the Glycoside Hydrolase Nagz. Protein Sci., 18, 2009
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2VVN
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![BU of 2vvn by Molmil](/molmil-images/mine/2vvn) | BtGH84 in complex with NH-Butylthiazoline | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, AMMONIUM ION, GLYCEROL, ... | Authors: | He, Y, Davies, G.J. | Deposit date: | 2008-06-10 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Potent Mechanism-Inspired O-Glcnacase Inhibitor that Blocks Phosphorylation of Tau in Vivo. Nat.Chem.Biol., 4, 2008
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6LPM
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![BU of 6lpm by Molmil](/molmil-images/mine/6lpm) | |
2MJY
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![BU of 2mjy by Molmil](/molmil-images/mine/2mjy) | Solution structure of synthetic Mamba-1 peptide | Descriptor: | Mambalgin-1 | Authors: | He, Y, Wu, F, Tian, C. | Deposit date: | 2014-01-21 | Release date: | 2015-01-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | One-pot hydrazide-based native chemical ligation for efficient chemical synthesis and structure determination of toxin Mambalgin-1 Chem.Commun.(Camb.), 50, 2014
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1JSP
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![BU of 1jsp by Molmil](/molmil-images/mine/1jsp) | NMR Structure of CBP Bromodomain in complex with p53 peptide | Descriptor: | CREB-BINDING PROTEIN, tumor protein p53 | Authors: | He, Y, Mujtaba, S, Zeng, L, Yan, S, Zhou, M.-M. | Deposit date: | 2001-08-17 | Release date: | 2002-08-17 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Structural mechanism of the bromodomain of the coactivator CBP in p53 transcriptional activation. Mol.Cell, 13, 2004
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1JEW
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![BU of 1jew by Molmil](/molmil-images/mine/1jew) | |
4AIS
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![BU of 4ais by Molmil](/molmil-images/mine/4ais) | A complex structure of BtGH84 | Descriptor: | GLYCEROL, GLYCOLIC ACID, O-GLCNACASE BT_4395 | Authors: | He, Y, Davies, G.J. | Deposit date: | 2012-02-13 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase. J.Biol.Chem., 287, 2012
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4AIU
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![BU of 4aiu by Molmil](/molmil-images/mine/4aiu) | A complex structure of BtGH84 | Descriptor: | (3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL, CALCIUM ION, O-GLCNACASE BT_4395 | Authors: | He, Y, Davies, G.J. | Deposit date: | 2012-02-13 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase. J.Biol.Chem., 287, 2012
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3KX2
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![BU of 3kx2 by Molmil](/molmil-images/mine/3kx2) | |