8RUR
 
 | | High pH (8.0) nitrite-bound MSOX movie series dataset 2 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [1.38 MGy] | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2024-01-31 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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7RKI
 | | Griffithsin-S10Y/S42Y/S88Y | | Descriptor: | Griffithsin, alpha-D-mannopyranose | | Authors: | Sun, J.D, Zhao, G.X. | | Deposit date: | 2021-07-22 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
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5NMR
 | | Monomeric mouse Sortilin extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Leloup, N.O.L, Loessl, P, Meijer, D.H.M, Heck, A.J.R, Thies-Weesie, D.M.E, Janssen, B.J.C. | | Deposit date: | 2017-04-07 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
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7ROS
 | | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7ROU
 | | Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr | | Descriptor: | SULFATE ION, Tyrosine--tRNA ligase, cytoplasmic, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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6HRO
 | | Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118a | | Descriptor: | 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Ren, J, Zhao, Y, Stuart, D.I. | | Deposit date: | 2018-09-27 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library.
J.Med.Chem., 62, 2019
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7ROT
 | | Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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6HWR
 | | Red kidney bean purple acid phosphatase in complex with adenosine divanadate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G. | | Deposit date: | 2018-10-13 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019
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6F6I
 | | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH PAROXETINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ... | | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | | Deposit date: | 2017-12-05 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
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6FKM
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6EZ9
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU3372 | | Descriptor: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Barinka, C, Novakova, Z, Motlova, L. | | Deposit date: | 2017-11-14 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
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8DLW
 | | Cryo-EM structure of SARS-CoV-2 Epsilon (B.1.429) spike protein in complex with Fab S2M11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab S2M11 heavy chain, ... | | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | | Deposit date: | 2022-07-08 | | Release date: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (2.16 Å) | | Cite: | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
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6N51
 | | Metabotropic Glutamate Receptor 5 bound to L-quisqualate and Nb43 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ... | | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | | Deposit date: | 2018-11-20 | | Release date: | 2019-01-23 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
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5NAU
 | | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20 | | Descriptor: | (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | | Deposit date: | 2017-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
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7URU
 | | Crystal structure of the low affinity Fc gamma receptor IIIA variant in complex with the Fc of IgG1. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, ... | | Authors: | Tolbert, W.D, Pazgier, M. | | Deposit date: | 2022-04-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the low affinity Fc gamma receptor IIIA variant in complex with the Fc of IgG1.
To Be Published
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5NJS
 | | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 1HEW | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | | Deposit date: | 2017-03-29 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
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6HQ8
 | | Bacterial beta-1,3-oligosaccharide phosphorylase from GH149 with laminarihexaose bound at a surface site | | Descriptor: | 1,2-ETHANEDIOL, BICINE, Beta-1,3-oligosaccharide phosphorylase, ... | | Authors: | Kuhaudomlarp, S, Stevenson, C.E.M, Lawson, D.M, Field, R.A. | | Deposit date: | 2018-09-24 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The structure of a GH149 beta-(1 → 3) glucan phosphorylase reveals a new surface oligosaccharide binding site and additional domains that are absent in the disaccharide-specific GH94 glucose-beta-(1 → 3)-glucose (laminaribiose) phosphorylase.
Proteins, 87, 2019
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6F6N
 | | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE | | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | | Deposit date: | 2017-12-05 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
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6ETY
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU3371 | | Descriptor: | (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Barinka, C, Novakova, Z, Motlova, L. | | Deposit date: | 2017-10-27 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
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7R2X
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5NRB
 | | A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - alpha-3GalT in complex with Co2+, UDP-Gal and lactose - a3GalT-Co2+-UDP-Gal-LAT-1 | | Descriptor: | COBALT (II) ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, N-acetyllactosaminide alpha-1,3-galactosyltransferase, ... | | Authors: | Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E. | | Deposit date: | 2017-04-22 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
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7RY8
 | | S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole | | Descriptor: | Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | | Deposit date: | 2021-08-24 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
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5IJC
 | | The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | | Deposit date: | 2016-03-01 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6FKA
 | | Crystal structure of N2C/D282C stabilized opsin bound to RS11 | | Descriptor: | (2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ... | | Authors: | Mattle, D, Standfuss, J, Dawson, R. | | Deposit date: | 2018-01-23 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7S4S
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