8DHW
 
 | | Treponema lecithinolyticum beta-glucuronidase in complex with a UNC4917-glucuronide conjugate | | Descriptor: | 4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, Glycosyl hydrolase family 2, TIM barrel domain protein, ... | | Authors: | Lietzan, A.D, Redinbo, M.R. | | Deposit date: | 2022-06-28 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
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4XOC
 | | Crystal structure of the FimH lectin domain from E.coli F18 in complex with heptyl alpha-D-mannopyrannoside | | Descriptor: | FimH protein, heptyl alpha-D-mannopyranoside | | Authors: | Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | | Deposit date: | 2015-01-16 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
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6PSG
 | | Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem | | Descriptor: | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ... | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2019-07-12 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
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5U75
 | | The structure of Staphylococcal Enterotoxin-like X (SElX), a Unique Superantigen | | Descriptor: | Enterotoxin-like toxin X, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Ting, Y.T, Young, P.G, Langley, R.J, Baker, H, Fraser, J.D. | | Deposit date: | 2016-12-11 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Staphylococcal enterotoxin-like X (SElX) is a unique superantigen with functional features of two major families of staphylococcal virulence factors.
PLoS Pathog., 13, 2017
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6TKG
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | Deposit date: | 2019-11-28 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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7BO3
 | | Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-methylethan-1-amine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | | Deposit date: | 2021-01-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
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7BO4
 | | Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | | Deposit date: | 2021-01-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
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5U38
 | | Crystal structure of native lectin from Platypodium elegans seeds (PELa) complexed with Man1-3Man-OMe. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lectin, ... | | Authors: | Silva, I.B, Araripe, D.A, Neco, A.H.B, Pinto-Junior, V.R, Osterne, V.J.S, Santiago, M.Q, Silva-Filho, J.C, Leal, R.B, Rocha, C.R.C, Nascimento, K.S, Cavada, B.S. | | Deposit date: | 2016-12-01 | | Release date: | 2017-10-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural studies and nociceptive activity of a native lectin from Platypodium elegans seeds (nPELa).
Int. J. Biol. Macromol., 107, 2018
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6GL3
 | | Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44 | | Descriptor: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | | Authors: | Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J. | | Deposit date: | 2018-05-22 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
J. Med. Chem., 61, 2018
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3ILR
 | | Structure of Heparinase I from Bacteroides thetaiotaomicron in complex with tetrasaccharide product | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(4-1)-4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid, 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ... | | Authors: | Garron, M.L, Cygler, M, Shaya, D. | | Deposit date: | 2009-08-07 | | Release date: | 2009-09-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural snapshots of heparin depolymerization by heparin lyase I.
J.Biol.Chem., 284, 2009
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5F39
 | | Crystal structure of human KDM4A in complex with compound 37 | | Descriptor: | 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Lysine-specific demethylase 4A, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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2VLC
 | | Crystal structure of Natural Cinnamomin (Isoform III) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein, beta-D-mannopyranose, ... | | Authors: | Azzi, A, Wang, T, Zhu, D.-W, Zou, Y.-S, Liu, W.-Y, Lin, S.-X. | | Deposit date: | 2008-01-11 | | Release date: | 2009-02-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal Structure of Native Cinnamomin Isoform III and its Comparison with Other Ribosome Inactivating Proteins.
Proteins: Struct., Funct., Bioinf., 74, 2009
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4XOE
 | | Crystal structure of a FimH*DsG complex from E.coli F18 with bound heptyl alpha-D-mannopyrannoside | | Descriptor: | CACODYLATE ION, FimG protein, FimH protein, ... | | Authors: | Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | | Deposit date: | 2015-01-16 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
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3IDY
 | | Crystal structure of HIV-gp120 core in complex with CD4-binding site antibody b13, space group C2221 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab b13 heavy chain, Fab b13 light chain, ... | | Authors: | Chen, L, Kwon, Y.D, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z.Y, Zhang, M.Y, Arthos, J, Burton, D.R, Dimitrov, D.S, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2009-07-22 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120.
Science, 326, 2009
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2V3E
 | | acid-beta-glucosidase with N-nonyl-deoxynojirimycin | | Descriptor: | (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ... | | Authors: | Brumshtein, B, Greenblatt, H.M, Butters, T.D, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | | Deposit date: | 2007-06-17 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Complexes of N-Butyl- and N-Nonyl-Deoxynojirimycin Bound to Acid Beta-Glucosidase: Insights Into the Mechanism of Chemical Chaperone Action in Gaucher Disease.
J.Biol.Chem., 282, 2007
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5F6Z
 | | Sandercyanin Fluorescent Protein purified from Sander vitreus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein | | Authors: | Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R. | | Deposit date: | 2015-12-07 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
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6PVS
 | | Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor LL320 | | Descriptor: | 9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine, NNMT protein | | Authors: | Noinaj, N, Huang, R, Chen, D, Yadav, R. | | Deposit date: | 2019-07-21 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.575 Å) | | Cite: | Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase.
J.Med.Chem., 62, 2019
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7XA7
 | | Crystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ... | | Authors: | Tang, L.F, Zhang, D, Han, P, Qi, J.X. | | Deposit date: | 2022-03-17 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2.
Int J Biol Sci, 18, 2022
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8U5P
 | | Structure of Mango II aptamer bound to T01-6A-B | | Descriptor: | 3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium, Mango II, POTASSIUM ION | | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | Deposit date: | 2023-09-12 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of Mango II aptamer bound to T01-6A-B
To Be Published
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3ILQ
 | | Structure of mCD1d with bound glycolipid BbGL-2c from Borrelia burgdorferi | | Descriptor: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M. | | Deposit date: | 2009-08-07 | | Release date: | 2010-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6H1X
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8U5T
 | | Structure of Mango II variant aptamer bound to T01-6A-B | | Descriptor: | 3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium, Mango II variant, POTASSIUM ION, ... | | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | Deposit date: | 2023-09-12 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Mango II variant aptamer bound to T01-6A-B
To Be Published
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5UF1
 | | Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 in complex with H-trisaccharide | | Descriptor: | CHLORIDE ION, O13, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | | Deposit date: | 2017-01-03 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
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2X91
 | | Crystal structure of AnCE-lisinopril complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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8U5Z
 | | Structure of Mango II variant aptamer bound to T01-7M-B | | Descriptor: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium, Mango II variant, POTASSIUM ION, ... | | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | Deposit date: | 2023-09-13 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Mango II variant aptamer bound to T01-7M-B
To Be Published
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