5CBR
| Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (S)-2-amino-3-(3,4-dichloro-5-(5-hydroxypyridin-3-yl)phenyl)propanoic acid at 2.0A resolution | Descriptor: | 3,4-dichloro-5-(5-hydroxypyridin-3-yl)-L-phenylalanine, ACETATE ION, GLYCEROL, ... | Authors: | Frydenvang, K, Kastrup, J.S. | Deposit date: | 2015-07-01 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors. J.Med.Chem., 59, 2016
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5CBS
| Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid at 1.8A resolution | Descriptor: | (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Frydenvang, K, Kastrup, J.S. | Deposit date: | 2015-07-01 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors. J.Med.Chem., 59, 2016
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8CHE
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6SBT
| Structure of GluK1 ligand-binding domain (S1S2) in complex with N-(7-(1H-imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl benzamide at 2.3 A resolution | Descriptor: | CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ... | Authors: | Moellerud, S, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2019-07-22 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | N-(7-(1H-Imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide, a New Kainate Receptor Selective Antagonist and Analgesic: Synthesis, X-ray Crystallography, Structure-Affinity Relationships, and in Vitro and in Vivo Pharmacology. Acs Chem Neurosci, 10, 2019
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7TD6
| aRML prion fibril | Descriptor: | Major prion protein | Authors: | Hoyt, F, Standke, H.G, Artikis, E, Caughey, B, Kraus, A. | Deposit date: | 2021-12-30 | Release date: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of anchorless RML prion reveals variations in shared motifs between distinct strains. Nat Commun, 13, 2022
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8FTS
| SgvM methyltransferase with SAH and alpha-ketoleucine | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Kuzelka, K, Nair, S.K. | Deposit date: | 2023-01-13 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases Nat Commun, 14, 2023
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8FTR
| SgvM methyltransferase with MTA and alpha-ketoleucine | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methyltransferase, ... | Authors: | Kuzelka, K, Nair, S.K. | Deposit date: | 2023-01-13 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases. Nat Commun, 14, 2023
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8FTV
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6YXW
| Affimer K3 - KRAS protein complex | Descriptor: | Affimer K3, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | Deposit date: | 2020-05-04 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site. Nat Commun, 12, 2021
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6YR8
| Affimer K6 - KRAS protein complex | Descriptor: | Affimer K6, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | Deposit date: | 2020-04-19 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site. Nat Commun, 12, 2021
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8QCD
| STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE | Descriptor: | 1,2-ETHANEDIOL, 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Casein kinase II subunit alpha' | Authors: | Werner, C, Niefind, K. | Deposit date: | 2023-08-25 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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6XKR
| Structure of Sasanlimab Fab in complex with PD-1 | Descriptor: | GLYCEROL, Programmed cell death protein 1, Sasanlimab Fab Heavy chain, ... | Authors: | Kimberlin, C.R, Chin, S.M. | Deposit date: | 2020-06-27 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 Antibody. Mol.Cancer Ther., 19, 2020
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6FZ4
| Structure of GluK1 ligand-binding domain in complex with N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide at 1.85 A resolution | Descriptor: | CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ... | Authors: | Kastrup, J.S, Frydenvang, K, Mollerud, S. | Deposit date: | 2018-03-14 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N1-Substituted Quinoxaline-2,3-diones as Kainate Receptor Antagonists: X-ray Crystallography, Structure-Affinity Relationships, and in Vitro Pharmacology. Acs Chem Neurosci, 10, 2019
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6G5J
| Secreted phospholipase A2 type X in complex with ligand | Descriptor: | (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Oster, L. | Deposit date: | 2018-03-29 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid. ACS Med Chem Lett, 9, 2018
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8QEB
| S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ERGOSTEROL, ... | Authors: | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QED
| S. cerevisia Niemann-Pick type C protein NCR1 in LMNG at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, NPC intracellular sterol transporter 1-related protein 1, ... | Authors: | Frain, K.M, Nel, L, Dedic, E, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QEC
| S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QEE
| S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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5G3M
| Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | Descriptor: | 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease Acs Med.Chem.Lett., 7, 2016
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6H0K
| Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6H0L
| Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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5G3N
| Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | Descriptor: | 3-(5'-BENZYL-2'-CARBAMOYLBIPHENYL-3-YL)PROPANOIC ACID, CALCIUM ION, FORMIC ACID, ... | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease Acs Med.Chem.Lett., 7, 2016
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4QL9
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5H29
| Crystal Structure of the NTD_N/C domain of Alkylhydroperoxide Reductase AhpF from Enterococcus Faecalis (V583) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PROLINE, SULFATE ION, ... | Authors: | Balakrishna, A.M, Kwang, T.Y, Gruber, G. | Deposit date: | 2016-10-14 | Release date: | 2017-11-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel insights into the vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F Biochim. Biophys. Acta, 1861, 2017
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4O5Q
| Crystal Structure of the Alkylhydroperoxide Reductase AhpF from Escherichia coli | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkyl hydroperoxide reductase subunit F, CADMIUM ION, ... | Authors: | Dip, P.V, Kamariah, N, Manimekalai, M.S.S, Balakrishna, A.M, Gruber, G. | Deposit date: | 2013-12-20 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure, mechanism and ensemble formation of the alkylhydroperoxide reductase subunits AhpC and AhpF from Escherichia coli Acta Crystallogr.,Sect.D, 70, 2014
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