6N5A
 
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6MVM
 | | LasR LBD L130F:3OC14HSL complex | | Descriptor: | 3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide, Transcriptional regulator LasR | | Authors: | Paczkowski, J.E, Bassler, B.L. | | Deposit date: | 2018-10-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor.
Acs Chem.Biol., 14, 2019
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6A90
 | | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana and Dc1a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mu-diguetoxin-Dc1a, ... | | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | | Deposit date: | 2018-07-11 | | Release date: | 2018-08-08 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
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6A95
 | | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with tetrodotoxin and Dc1a | | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | | Deposit date: | 2018-07-11 | | Release date: | 2018-08-08 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
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6A91
 | | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with saxitoxin and Dc1a | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | | Deposit date: | 2018-07-11 | | Release date: | 2018-08-08 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
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6O1G
 | | Full length human plasma kallikrein with inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, Plasma kallikrein | | Authors: | Partridge, J.R, Choy, R.M. | | Deposit date: | 2019-02-19 | | Release date: | 2019-03-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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6AGF
 | | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N. | | Deposit date: | 2018-08-11 | | Release date: | 2018-10-10 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1.
Science, 362, 2018
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7X7W
 | | The X-ray Crystallographic Structure of D-Psicose 3-epimerase from Clostridia bacterium | | Descriptor: | D-PSICOSE 3-EPIMERASE, MANGANESE (II) ION | | Authors: | Li, Z.F, Ban, X.F, Xie, X.F, Tian, Y.X, Li, C.M, Gu, Z.B. | | Deposit date: | 2022-03-10 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Crystal structure of a novel homodimeric D-allulose 3-epimerase from a Clostridia bacterium
Acta Crystallogr.,Sect.D, 78, 2022
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6NQT
 | | GalNac-T2 soaked with UDP-sugar | | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | | Authors: | Fernandez, D, Bertozzi, C.R, Schumann, B, Agbay, A. | | Deposit date: | 2019-01-21 | | Release date: | 2020-01-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Bump-and-Hole Engineering Identifies Specific Substrates of Glycosyltransferases in Living Cells.
Mol.Cell, 78, 2020
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6ILE
 | | CRYSTAL STRUCTURE OF A MUTANT PTAL-N*01:01 FOR 2.9 ANGSTROM, 52M 53D 54L DELETED | | Descriptor: | Beta-2-microglobulin, HEV-1, MHC class I antigen | | Authors: | Qu, Z.H, Zhang, N.Z, Xia, C. | | Deposit date: | 2018-10-17 | | Release date: | 2019-07-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding.
J Immunol., 202, 2019
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6ILF
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6MWH
 | | LasR LBD:BB0020 complex | | Descriptor: | 2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide, Transcriptional regulator LasR | | Authors: | Bassler, B.L, Paczkowski, J.E. | | Deposit date: | 2018-10-29 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor.
Acs Chem.Biol., 14, 2019
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7X6Z
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7X70
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7X6Y
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3TYB
 | | Dihydropteroate Synthase in complex with pHBA and DHP+ | | Descriptor: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, P-HYDROXYBENZOIC ACID, ... | | Authors: | Yun, M.-K, White, S.W. | | Deposit date: | 2011-09-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
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3TZF
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8Y45
 | | Cryo-EM structure of opioid receptor with biased agonist | | Descriptor: | Delta-type opioid receptor, 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: | Lin, C, Chang, Z. | | Deposit date: | 2024-01-30 | | Release date: | 2024-11-27 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Cryo-EM structure of small-molecule agonist bound delta opioid receptor-G i complex enables discovery of biased compound.
Nat Commun, 15, 2024
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8I3Q
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6KK0
 | | Crystal structure of PDE4D catalytic domain complexed with compound 4e | | Descriptor: | 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2019-07-23 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.20008755 Å) | | Cite: | Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
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6K4V
 | | The solution structure of the smart chimeric peptide G6 | | Descriptor: | smart chimeric peptide G6 | | Authors: | Wang, J.H, Liu, X.H. | | Deposit date: | 2019-05-27 | | Release date: | 2019-06-12 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli.
Commun Biol, 3, 2020
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5J14
 | | Crystal structure of endoglycoceramidase I from Rhodococ-cus equi in complex with GM3 | | Descriptor: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Putative secreted endoglycosylceramidase, ... | | Authors: | Chen, L. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.915 Å) | | Cite: | Structural Insights into the Broad Substrate Specificity of a Novel Endoglycoceramidase I Belonging to a New Subfamily of GH5 Glycosidases
J. Biol. Chem., 292, 2017
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5JIF
 | | Crystal structure of mouse hepatitis virus strain DVIM Hemagglutinin-Esterase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Zeng, Q.H, Bakkers, M.J.G, Feitsma, L.J, de Groot, R.J, Huizinga, E.G. | | Deposit date: | 2016-04-22 | | Release date: | 2016-05-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Coronavirus receptor switch explained from the stereochemistry of protein-carbohydrate interactions and a single mutation.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5J7Z
 | | Crystal structure of endoglycoceramidase I from Rhodococ-cus equi in complex with GM1 | | Descriptor: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE, Putative secreted endoglycosylceramidase, SODIUM ION, ... | | Authors: | Chen, L. | | Deposit date: | 2016-04-07 | | Release date: | 2016-04-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Insights into the Broad Substrate Specificity of a Novel Endoglycoceramidase I Belonging to a New Subfamily of GH5 Glycosidases.
J. Biol. Chem., 292, 2017
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5JIL
 | | Crystal structure of rat coronavirus strain New-Jersey Hemagglutinin-Esterase in complex with 4N-acetyl sialic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | | Authors: | Bakkers, M.J.G, Feitsma, L.J, de Groot, R.J, Huizinga, E.G. | | Deposit date: | 2016-04-22 | | Release date: | 2016-05-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Coronavirus receptor switch explained from the stereochemistry of protein-carbohydrate interactions and a single mutation.
Proc.Natl.Acad.Sci.USA, 113, 2016
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